@MOLECULE FDBD01769 693 700 0 0 0 SMALL USER_CHARGES @ATOM 1 C 26.9473 -16.6944 0.5587 C.ar 1 UNK 0.0412 2 C1 25.8501 -15.6758 0.8534 C.3 1 UNK 0.0406 3 C2 24.6202 -15.9668 -0.0312 C.3 1 UNK 0.0586 4 C3 27.1117 -17.9477 1.1438 C.ar 1 UNK 0.0486 5 N 24.9977 -15.8757 -1.4491 N.4 1 UNK 0.2276 6 N1 27.9322 -16.5059 -0.3342 N.ar 1 UNK -0.3480 7 C4 28.7315 -17.5881 -0.3558 C.ar 1 UNK 0.0935 8 N2 28.2115 -18.4465 0.5459 N.ar 1 UNK -0.2440 9 O 23.6233 -14.1058 1.0518 O.2 1 UNK -0.2696 10 C5 23.4923 -15.0103 0.2418 C.2 1 UNK 0.2619 11 N3 22.3610 -15.2245 -0.4574 N.am 1 UNK -0.3021 12 N4 19.2162 -15.6496 -0.0803 N.am 1 UNK -0.3027 13 C6 20.0175 -14.9408 -0.8969 C.2 1 UNK 0.2308 14 O1 19.8082 -14.7806 -2.0885 O.2 1 UNK -0.2741 15 C7 21.2328 -14.3316 -0.2640 C.3 1 UNK 0.0883 16 C8 18.0456 -16.3052 -0.6351 C.3 1 UNK 0.0997 17 C9 16.8568 -15.3843 -0.6350 C.2 1 UNK 0.2338 18 N5 15.7155 -15.8829 -1.1495 N.am 1 UNK -0.3052 19 C10 17.7512 -17.5747 0.1871 C.3 1 UNK -0.0209 20 C11 20.1419 -18.3321 0.2160 C.2 1 UNK 0.0418 21 O2 20.9514 -17.9806 -0.6834 O.co2 1 UNK -0.5498 22 C12 18.7426 -18.6917 -0.1967 C.3 1 UNK -0.0111 23 O3 16.9574 -14.2525 -0.1883 O.2 1 UNK -0.2738 24 O4 20.4382 -18.4071 1.4382 O.co2 1 UNK -0.5498 25 N6 12.2685 -15.4257 -0.4436 N.am 1 UNK -0.3006 26 C13 13.2945 -15.8824 -1.1881 C.2 1 UNK 0.2308 27 O5 13.2579 -16.9192 -1.8315 O.2 1 UNK -0.2741 28 C14 14.5358 -15.0375 -1.1971 C.3 1 UNK 0.0882 29 O6 9.9645 -14.1076 -0.4085 O.2 1 UNK -0.2737 30 C15 9.8412 -15.3165 -0.2903 C.2 1 UNK 0.2365 31 N7 8.6580 -15.9312 -0.0901 N.am 1 UNK -0.3021 32 C16 11.0484 -16.2115 -0.3618 C.3 1 UNK 0.1252 33 C17 11.0970 -17.1236 0.8812 C.3 1 UNK 0.0792 34 O7 11.3409 -16.3443 2.0557 O.3 1 UNK -0.3897 35 C18 12.2027 -18.1843 0.7237 C.3 1 UNK -0.0367 36 C19 7.4918 -14.1947 1.2097 C.3 1 UNK -0.0007 37 C20 7.4413 -15.1395 -0.0118 C.3 1 UNK 0.1034 38 C21 6.3038 -13.2368 1.1778 C.ar 1 UNK -0.0451 39 C22 4.2232 -12.4606 2.1403 C.ar 1 UNK -0.0615 40 C23 4.0196 -11.6346 1.0325 C.ar 1 UNK -0.0617 41 C24 4.9865 -11.5665 0.0258 C.ar 1 UNK -0.0615 42 C25 6.1330 -12.3611 0.1018 C.ar 1 UNK -0.0585 43 C26 5.3751 -13.2479 2.2211 C.ar 1 UNK -0.0585 44 C27 6.2365 -16.0404 0.0526 C.2 1 UNK 0.2343 45 N8 5.0509 -15.4233 0.2229 N.am 1 UNK -0.3003 46 O8 6.3636 -17.2504 -0.0471 O.2 1 UNK -0.2738 47 O9 2.8693 -14.2018 -0.4996 O.2 1 UNK -0.2737 48 C28 2.6687 -15.3155 -0.0409 C.2 1 UNK 0.2365 49 N9 1.4395 -15.8251 0.1696 N.am 1 UNK -0.3005 50 C29 3.8271 -16.1965 0.3382 C.3 1 UNK 0.1252 51 C30 3.6189 -16.6611 1.7967 C.3 1 UNK 0.0792 52 O10 3.6040 -15.5416 2.6868 O.3 1 UNK -0.3897 53 C31 4.7050 -17.6626 2.2319 C.3 1 UNK -0.0367 54 C32 -0.9239 -15.8777 -0.3555 C.2 1 UNK 0.2362 55 C33 0.2726 -15.0035 -0.1010 C.3 1 UNK 0.1226 56 C34 -0.0122 -14.1121 1.1247 C.3 1 UNK 0.0711 57 N10 -2.0979 -15.2426 -0.5392 N.am 1 UNK -0.3021 58 O11 -0.8048 -17.0927 -0.3831 O.2 1 UNK -0.2737 59 O12 1.0352 -13.1540 1.2997 O.3 1 UNK -0.3927 60 N11 -5.6921 -15.9159 -0.4528 N.am 1 UNK -0.3025 61 C35 -4.5280 -15.2380 -0.4326 C.2 1 UNK 0.2343 62 O13 -4.4404 -14.0509 -0.1606 O.2 1 UNK -0.2738 63 C36 -3.2958 -16.0316 -0.7644 C.3 1 UNK 0.1045 64 C37 -3.3461 -16.5118 -2.2279 C.3 1 UNK 0.0138 65 C38 -4.1807 -17.7569 -2.3165 C.2 1 UNK 0.0440 66 O14 -3.6682 -18.8420 -1.9315 O.co2 1 UNK -0.5497 67 O15 -5.3494 -17.6539 -2.7768 O.co2 1 UNK -0.5497 68 N12 -9.3132 -15.5121 -0.1509 N.am 1 UNK -0.3006 69 C39 -6.9825 -13.2293 3.2051 C.3 1 UNK -0.0626 70 C40 -6.9671 -14.9807 1.4040 C.3 1 UNK -0.0236 71 C41 -8.1234 -16.0070 -0.5449 C.2 1 UNK 0.2340 72 O16 -7.9936 -17.0277 -1.2019 O.2 1 UNK -0.2738 73 C42 -6.9191 -15.2159 -0.1185 C.3 1 UNK 0.0997 74 C43 -7.1246 -13.4757 1.6919 C.3 1 UNK -0.0446 75 C44 -8.5091 -12.9904 1.2218 C.3 1 UNK -0.0626 76 C45 -11.7237 -15.4203 -0.0016 C.2 1 UNK 0.2362 77 C46 -10.5422 -16.2034 -0.5022 C.3 1 UNK 0.1226 78 C47 -10.5735 -17.6218 0.1018 C.3 1 UNK 0.0711 79 N13 -12.9327 -15.7702 -0.4846 N.am 1 UNK -0.3024 80 O17 -11.5556 -14.5165 0.8020 O.2 1 UNK -0.2737 81 O18 -10.3617 -17.5584 1.5151 O.3 1 UNK -0.3927 82 N14 -16.5118 -15.1673 0.0022 N.am 1 UNK -0.3025 83 C48 -14.0631 -13.5825 -0.5123 C.3 1 UNK -0.0258 84 C49 -15.0146 -12.7260 0.3439 C.3 1 UNK -0.0461 85 C50 -15.3291 -11.4123 -0.3935 C.3 1 UNK -0.0126 86 C51 -16.4402 -10.6600 0.3617 C.3 1 UNK -0.0354 87 N15 -16.7816 -9.4301 -0.3675 N.4 1 UNK 0.2185 88 C52 -15.3783 -15.6838 -0.5106 C.2 1 UNK 0.2339 89 O19 -15.3487 -16.6004 -1.3162 O.2 1 UNK -0.2738 90 C53 -14.1063 -15.0451 -0.0265 C.3 1 UNK 0.0994 91 N16 -20.4013 -16.4217 1.9099 N.am 1 UNK -0.3293 92 C54 -19.4487 -17.3355 2.1689 C.2 1 UNK 0.2106 93 C55 -18.8827 -14.7030 -0.0295 C.2 1 UNK 0.2340 94 N17 -20.1071 -14.9049 -0.5551 N.am 1 UNK -0.3024 95 C56 -17.8020 -15.6620 -0.4453 C.3 1 UNK 0.0999 96 C57 -18.0842 -17.0748 0.1050 C.3 1 UNK -0.0177 97 C58 -18.0677 -17.0645 1.6461 C.3 1 UNK 0.0259 98 O20 -18.6264 -13.7951 0.7458 O.2 1 UNK -0.2738 99 O21 -19.6653 -18.3548 2.8035 O.2 1 UNK -0.2760 100 O22 -22.5871 -15.4887 -1.3777 O.2 1 UNK -0.2738 101 C59 -22.5168 -14.5290 -0.6262 C.2 1 UNK 0.2340 102 N18 -23.5908 -13.8837 -0.1317 N.am 1 UNK -0.3025 103 C60 -21.1798 -13.9933 -0.1962 C.3 1 UNK 0.1002 104 C61 -20.9313 -12.6189 -0.8494 C.3 1 UNK -0.0169 105 C62 -21.7941 -11.5407 -0.1676 C.3 1 UNK -0.0044 106 S -23.1085 -11.0723 -1.3314 S.3 1 UNK -0.1641 107 C63 -23.9205 -9.8149 -0.3018 C.3 1 UNK -0.0181 108 C64 -24.9214 -14.2956 -0.5412 C.3 1 UNK 0.0997 109 C65 -25.9124 -13.1977 -0.2714 C.2 1 UNK 0.2340 110 N19 -27.1314 -13.3394 -0.8268 N.am 1 UNK -0.3025 111 C66 -25.3374 -15.5844 0.1927 C.3 1 UNK -0.0209 112 C67 -26.8664 -17.5394 0.1146 C.2 1 UNK 0.0418 113 O23 -26.2198 -18.5750 -0.1977 O.co2 1 UNK -0.5498 114 C68 -26.5013 -16.2518 -0.5631 C.3 1 UNK -0.0111 115 O24 -25.5949 -12.2404 0.4163 O.2 1 UNK -0.2738 116 O25 -27.8109 -17.5210 0.9484 O.co2 1 UNK -0.5498 117 C69 -28.1188 -12.2945 -0.6241 C.3 1 UNK 0.0997 118 C70 -29.5077 -12.8673 -0.6046 C.2 1 UNK 0.2340 119 N20 -30.4156 -12.1782 0.1143 N.am 1 UNK -0.3025 120 C71 -27.9727 -11.2188 -1.7194 C.3 1 UNK -0.0209 121 C72 -30.0643 -10.1498 -2.5138 C.2 1 UNK 0.0418 122 O26 -29.8002 -9.7998 -3.6953 O.co2 1 UNK -0.5498 123 C73 -28.9685 -10.0653 -1.4914 C.3 1 UNK -0.0111 124 O27 -29.7568 -13.8991 -1.2078 O.2 1 UNK -0.2738 125 O28 -31.1947 -10.5594 -2.1384 O.co2 1 UNK -0.5498 126 C74 -31.7845 -12.6569 0.1822 C.3 1 UNK 0.0997 127 C75 -32.6292 -11.6104 0.8556 C.2 1 UNK 0.2339 128 N21 -32.8212 -10.4772 0.1528 N.am 1 UNK -0.3027 129 C76 -31.8366 -14.0015 0.9348 C.3 1 UNK -0.0209 130 C77 -33.0698 -16.1423 1.1240 C.2 1 UNK 0.0418 131 O29 -32.6102 -17.0941 0.4384 O.co2 1 UNK -0.5498 132 C78 -33.0958 -14.7758 0.5051 C.3 1 UNK -0.0111 133 O30 -33.0972 -11.8059 1.9664 O.2 1 UNK -0.2738 134 O31 -33.5231 -16.2697 2.2924 O.co2 1 UNK -0.5498 135 C79 -33.4761 -8.1526 -0.0905 C.2 1 UNK 0.2337 136 C80 -33.6184 -9.4065 0.7258 C.3 1 UNK 0.0966 137 N22 -34.0067 -7.0338 0.4402 N.am 1 UNK -0.3022 138 O32 -32.9024 -8.1817 -1.1679 O.2 1 UNK -0.2738 139 C81 -35.1036 -9.8123 0.7867 C.3 1 UNK -0.0381 140 O33 -34.3896 -4.7050 1.7442 O.2 1 UNK -0.2738 141 C82 -33.9240 -4.6023 0.6206 C.2 1 UNK 0.2342 142 N23 -33.3948 -3.4647 0.1294 N.am 1 UNK -0.3025 143 C83 -33.9013 -5.7895 -0.3007 C.3 1 UNK 0.1017 144 C84 -34.9715 -5.7039 -1.4084 C.3 1 UNK -0.0197 145 C85 -36.3799 -5.5804 -0.7962 C.3 1 UNK -0.0605 146 C86 -34.6914 -4.5034 -2.3322 C.3 1 UNK -0.0605 147 O34 -32.6958 -1.1802 -1.0192 O.2 1 UNK -0.2738 148 C87 -32.9455 -1.0734 0.1710 C.2 1 UNK 0.2339 149 N24 -32.8968 0.0941 0.8421 N.am 1 UNK -0.3025 150 C88 -33.3299 -2.2845 0.9752 C.3 1 UNK 0.0995 151 C89 -32.3261 -2.4841 2.1310 C.3 1 UNK -0.0231 152 C90 -30.9642 -2.9778 1.6036 C.3 1 UNK -0.0201 153 C91 -30.9906 -4.5117 1.4638 C.3 1 UNK 0.0646 154 N25 -29.8429 -4.9534 0.6934 N.pl3 1 UNK -0.2787 155 C92 -29.9855 -5.5097 -0.4755 C.cat 1 UNK 0.3410 156 N26 -31.1197 -5.6804 -0.9862 N.pl3 1 UNK -0.2919 157 N27 -28.9309 -5.8963 -1.1299 N.pl3 1 UNK -0.2919 158 N28 -31.3126 3.3680 0.4577 N.am 1 UNK -0.3022 159 C93 -36.1901 2.2945 -0.6677 C.3 1 UNK -0.0626 160 C94 -33.7104 1.8949 -0.6552 C.3 1 UNK -0.0236 161 C95 -31.9128 2.3187 1.0528 C.2 1 UNK 0.2340 162 O35 -31.9708 2.1640 2.2623 O.2 1 UNK -0.2738 163 C96 -32.5214 1.3024 0.1287 C.3 1 UNK 0.0996 164 C97 -34.9739 1.9838 0.2241 C.3 1 UNK -0.0446 165 C98 -34.8194 3.0989 1.2754 C.3 1 UNK -0.0626 166 C99 -29.4634 3.7311 2.0338 C.3 1 UNK -0.0007 167 C100 -30.6435 4.3703 1.2717 C.3 1 UNK 0.1034 168 C101 -28.5942 2.9250 1.0740 C.ar 1 UNK -0.0451 169 C102 -26.7819 2.8159 -0.5239 C.ar 1 UNK -0.0615 170 C103 -27.0278 1.4523 -0.7069 C.ar 1 UNK -0.0617 171 C104 -28.0523 0.8231 0.0051 C.ar 1 UNK -0.0615 172 C105 -28.8322 1.5591 0.9004 C.ar 1 UNK -0.0585 173 C106 -27.5644 3.5529 0.3683 C.ar 1 UNK -0.0585 174 C107 -30.1365 5.4812 0.3933 C.2 1 UNK 0.2343 175 N29 -29.3295 6.3912 0.9726 N.am 1 UNK -0.3022 176 O36 -30.4541 5.5210 -0.7847 O.2 1 UNK -0.2738 177 N30 -26.7390 8.6613 -0.1910 N.am 1 UNK -0.3025 178 C108 -30.1935 9.1649 1.4524 C.3 1 UNK -0.0512 179 C109 -31.3553 10.1713 1.3533 C.3 1 UNK -0.0650 180 C110 -27.4908 7.9722 0.6881 C.2 1 UNK 0.2342 181 O37 -27.1551 7.7416 1.8389 O.2 1 UNK -0.2738 182 C111 -28.8110 7.4801 0.1634 C.3 1 UNK 0.1020 183 C112 -29.8506 8.6159 0.0536 C.3 1 UNK -0.0171 184 C113 -29.3313 9.7494 -0.8534 C.3 1 UNK -0.0603 185 C114 -25.1967 10.4918 -0.4994 C.2 1 UNK 0.2340 186 O38 -26.0098 10.9125 -1.3075 O.2 1 UNK -0.2738 187 C115 -25.4640 9.2087 0.2346 C.3 1 UNK 0.0997 188 N31 -24.0403 11.1211 -0.2147 N.am 1 UNK -0.3022 189 C116 -24.3312 8.1886 -0.0021 C.3 1 UNK -0.0209 190 C117 -24.1143 7.9351 -1.5083 C.3 1 UNK -0.0111 191 C118 -23.2187 8.9908 -2.0929 C.2 1 UNK 0.0418 192 O39 -22.0546 9.1122 -1.6257 O.co2 1 UNK -0.5498 193 O40 -23.6800 9.7071 -3.0210 O.co2 1 UNK -0.5498 194 C119 -25.6440 13.6450 0.0808 C.ar 1 UNK -0.0201 195 C120 -26.4799 14.4579 -0.6897 C.ar 1 UNK 0.0060 196 N32 -27.7491 14.1705 -0.3281 N.ar 1 UNK -0.3604 197 C121 -27.7657 13.2306 0.6347 C.ar 1 UNK 0.0467 198 C122 -26.4524 12.8953 0.9316 C.ar 1 UNK 0.0029 199 C123 -26.1343 11.9580 1.9156 C.ar 1 UNK -0.0523 200 C124 -28.8396 12.6233 1.2869 C.ar 1 UNK -0.0378 201 C125 -28.5325 11.6591 2.2544 C.ar 1 UNK -0.0598 202 C126 -27.2054 11.3310 2.5620 C.ar 1 UNK -0.0611 203 O41 -22.2084 12.2486 -2.6418 O.2 1 UNK -0.2738 204 C127 -22.3632 12.4111 -1.4421 C.2 1 UNK 0.2343 205 N33 -21.3465 12.6345 -0.5846 N.am 1 UNK -0.3025 206 C128 -23.7589 12.3709 -0.8930 C.3 1 UNK 0.1034 207 C129 -24.1233 13.5810 -0.0126 C.3 1 UNK 0.0013 208 N34 -17.6875 12.9693 -0.4856 N.am 1 UNK -0.3025 209 C130 -19.5369 16.3839 -2.3104 C.3 1 UNK -0.0626 210 C131 -19.8668 13.9019 -2.1046 C.3 1 UNK -0.0236 211 C132 -18.9542 12.8522 -0.0405 C.2 1 UNK 0.2340 212 O42 -19.2705 12.8575 1.1384 O.2 1 UNK -0.2738 213 C133 -19.9960 12.7217 -1.1172 C.3 1 UNK 0.0996 214 C134 -20.0216 15.2553 -1.3823 C.3 1 UNK -0.0446 215 C135 -21.4969 15.4984 -1.0120 C.3 1 UNK -0.0626 216 N35 -14.2968 13.9424 0.4913 N.am 1 UNK -0.3020 217 C136 -16.2684 11.8156 1.1626 C.3 1 UNK -0.0258 218 C137 -15.9099 10.7349 0.1253 C.3 1 UNK -0.0461 219 C138 -15.5407 9.4319 0.8582 C.3 1 UNK -0.0126 220 C139 -15.1847 8.3408 -0.1691 C.3 1 UNK -0.0354 221 N36 -13.9132 8.6759 -0.8275 N.4 1 UNK 0.2185 222 C140 -15.3860 13.6784 -0.2582 C.2 1 UNK 0.2340 223 O43 -15.4228 13.8513 -1.4664 O.2 1 UNK -0.2738 224 C141 -16.5978 13.1475 0.4589 C.3 1 UNK 0.0994 225 N37 -10.7208 14.6725 0.1148 N.am 1 UNK -0.3052 226 C142 -13.3405 15.9504 -0.5378 C.3 1 UNK 0.0506 227 N38 -12.6017 15.7359 -2.8418 N.am 1 UNK -0.3293 228 C143 -12.4191 16.3427 -1.6555 C.2 1 UNK 0.2127 229 O44 -11.5522 17.1792 -1.4635 O.2 1 UNK -0.2760 230 C144 -11.8901 14.3519 0.7032 C.2 1 UNK 0.2342 231 O45 -11.9884 13.9832 1.8628 O.2 1 UNK -0.2738 232 C145 -13.1127 14.4726 -0.1636 C.3 1 UNK 0.1076 233 N39 -7.1474 15.0611 0.4866 N.am 1 UNK -0.3054 234 C146 -8.4183 15.4148 0.2122 C.2 1 UNK 0.2306 235 O46 -8.7181 16.3296 -0.5390 O.2 1 UNK -0.2741 236 C147 -9.4946 14.6143 0.8897 C.3 1 UNK 0.0882 237 O47 -4.2567 16.2844 1.2724 O.2 1 UNK -0.2739 238 C148 -4.7629 15.4558 0.5335 C.2 1 UNK 0.2334 239 N40 -4.2055 14.2488 0.2945 N.am 1 UNK -0.2886 240 C149 -6.0632 15.7952 -0.1412 C.3 1 UNK 0.0884 241 C150 -2.9553 13.8800 0.9297 C.3 1 UNK 0.1023 242 C151 -2.8825 12.3711 0.6237 C.3 1 UNK -0.0243 243 C152 -1.7845 14.5633 0.2775 C.2 1 UNK 0.2342 244 C153 -3.9326 12.0682 -0.4681 C.3 1 UNK -0.0350 245 O48 -1.9641 15.3959 -0.5972 O.2 1 UNK -0.2738 246 N41 -0.5651 14.1965 0.7195 N.am 1 UNK -0.3006 247 C154 -4.8508 13.3001 -0.5881 C.3 1 UNK 0.0156 248 C155 1.8543 14.0345 0.5110 C.2 1 UNK 0.2363 249 C156 0.6193 14.8076 0.1385 C.3 1 UNK 0.1226 250 C157 0.7501 16.2726 0.6004 C.3 1 UNK 0.0711 251 N42 3.0049 14.4248 -0.0728 N.am 1 UNK -0.3005 252 O49 1.7798 13.1074 1.3021 O.2 1 UNK -0.2737 253 O50 0.7817 16.3343 2.0289 O.3 1 UNK -0.3927 254 C158 5.4463 14.4804 -0.1972 C.2 1 UNK 0.2360 255 C159 4.2308 13.7051 0.2326 C.3 1 UNK 0.1226 256 C160 4.2207 12.3180 -0.4405 C.3 1 UNK 0.0711 257 N43 6.6379 13.9664 0.1668 N.am 1 UNK -0.3051 258 O51 5.3220 15.5134 -0.8360 O.2 1 UNK -0.2737 259 O52 4.0553 12.4607 -1.8542 O.3 1 UNK -0.3927 260 N44 10.2384 14.2295 -0.0505 N.am 1 UNK -0.3030 261 C161 9.0328 14.1029 0.5395 C.2 1 UNK 0.2308 262 O53 8.8655 13.5677 1.6240 O.2 1 UNK -0.2741 263 C162 7.8558 14.6643 -0.2080 C.3 1 UNK 0.0882 264 O54 12.6995 15.0811 -0.7771 O.2 1 UNK -0.2736 265 C163 12.6574 14.4646 0.2755 C.2 1 UNK 0.2362 266 N45 13.6855 14.4428 1.1517 N.am 1 UNK -0.2884 267 C164 11.4088 13.7027 0.6312 C.3 1 UNK 0.0968 268 C165 11.5925 12.2031 0.3327 C.3 1 UNK -0.0381 269 C166 14.8972 15.1906 0.8820 C.3 1 UNK 0.1025 270 C167 15.5827 15.1796 2.2628 C.3 1 UNK -0.0243 271 C168 14.8815 14.1019 3.1189 C.3 1 UNK -0.0350 272 C169 13.5839 13.7008 2.3904 C.3 1 UNK 0.0156 273 C170 15.7936 14.4802 -0.0974 C.2 1 UNK 0.2367 274 O55 15.4795 13.3715 -0.5003 O.2 1 UNK -0.2735 275 N46 16.9223 15.1102 -0.4921 N.am 1 UNK -0.2884 276 C171 17.8351 14.4700 -1.4177 C.3 1 UNK 0.1023 277 C172 18.7292 15.6569 -1.8298 C.3 1 UNK -0.0243 278 C173 18.5024 16.7903 -0.8054 C.3 1 UNK -0.0350 279 C174 17.2370 16.4358 -0.0015 C.3 1 UNK 0.0156 280 C175 18.6860 13.4528 -0.7077 C.2 1 UNK 0.2342 281 O56 18.3735 13.0550 0.4035 O.2 1 UNK -0.2738 282 N47 19.7837 13.0342 -1.3667 N.am 1 UNK -0.3006 283 C176 22.0905 12.3250 -1.0605 C.2 1 UNK 0.2362 284 C177 20.6484 12.0504 -0.7401 C.3 1 UNK 0.1226 285 C178 20.2515 10.6353 -1.2035 C.3 1 UNK 0.0711 286 N48 22.9978 11.5669 -0.4135 N.am 1 UNK -0.3024 287 O57 22.3847 13.1959 -1.8638 O.2 1 UNK -0.2737 288 O58 20.3622 10.5415 -2.6269 O.3 1 UNK -0.3927 289 N49 26.5435 10.6688 -0.4207 N.am 1 UNK -0.3025 290 C179 24.8513 13.0959 0.0330 C.3 1 UNK -0.0258 291 C180 26.2026 13.5826 -0.5267 C.3 1 UNK -0.0461 292 C181 27.3365 13.2220 0.4521 C.3 1 UNK -0.0126 293 C182 28.6960 13.5634 -0.1844 C.3 1 UNK -0.0354 294 N50 29.7805 13.0260 0.6504 N.4 1 UNK 0.2185 295 C183 25.2249 10.6308 -0.1452 C.2 1 UNK 0.2339 296 O59 24.6888 9.7307 0.4815 O.2 1 UNK -0.2738 297 C184 24.4130 11.7886 -0.6594 C.3 1 UNK 0.0994 298 N51 29.7753 9.0207 0.0064 N.am 1 UNK -0.3025 299 C185 27.4370 9.7077 1.6335 C.3 1 UNK -0.0258 300 C186 27.6249 8.3002 2.2313 C.3 1 UNK -0.0461 301 C187 29.1070 8.0793 2.5882 C.3 1 UNK -0.0126 302 C188 29.3074 6.6492 3.1223 C.3 1 UNK -0.0354 303 N52 30.7325 6.4300 3.4043 N.4 1 UNK 0.2185 304 C189 28.8199 9.8689 -0.4224 C.2 1 UNK 0.2339 305 O60 29.0417 10.7953 -1.1859 O.2 1 UNK -0.2738 306 C190 27.4257 9.6339 0.0928 C.3 1 UNK 0.0994 307 N53 33.2198 7.9722 -0.5690 N.am 1 UNK -0.3025 308 C191 31.6707 10.5233 0.2999 C.3 1 UNK -0.0258 309 C192 33.0936 10.8801 -0.1705 C.3 1 UNK -0.0461 310 C193 34.1150 10.3316 0.8434 C.3 1 UNK -0.0126 311 C194 35.5432 10.6032 0.3368 C.3 1 UNK -0.0354 312 N54 36.5109 10.0484 1.2932 N.4 1 UNK 0.2185 313 C195 31.9972 8.0537 -0.0079 C.2 1 UNK 0.2339 314 O61 31.5606 7.2204 0.7701 O.2 1 UNK -0.2738 315 C196 31.1561 9.2419 -0.3886 C.3 1 UNK 0.0994 316 N55 36.4383 6.3621 -0.0053 N.am 1 UNK -0.3025 317 C197 33.5796 5.5688 -0.9136 C.3 1 UNK -0.0258 318 C198 34.1707 4.3219 -0.2288 C.3 1 UNK -0.0461 319 C199 35.4362 3.8692 -0.9805 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H102 -25.6494 -15.3436 1.1875 H 1 UNK 0.0291 446 H103 -24.5058 -16.2565 0.2329 H 1 UNK 0.0291 447 H104 -26.2037 -16.4516 -1.5713 H 1 UNK 0.0325 448 H105 -27.3476 -15.5971 -0.5635 H 1 UNK 0.0325 449 H106 -27.9487 -11.8358 0.3275 H 1 UNK 0.0595 450 H107 -30.1528 -11.3570 0.5895 H 1 UNK 0.1495 451 H108 -28.1629 -11.6626 -2.6743 H 1 UNK 0.0291 452 H109 -26.9784 -10.8252 -1.6824 H 1 UNK 0.0291 453 H110 -28.4598 -9.1290 -1.5885 H 1 UNK 0.0325 454 H111 -29.3866 -10.1402 -0.5093 H 1 UNK 0.0325 455 H112 -32.1691 -12.8267 -0.8018 H 1 UNK 0.0595 456 H113 -32.4242 -10.3755 -0.7424 H 1 UNK 0.1495 457 H114 -31.8706 -13.8202 1.9888 H 1 UNK 0.0291 458 H115 -30.9649 -14.5768 0.7022 H 1 UNK 0.0291 459 H116 -33.1140 -14.8660 -0.5609 H 1 UNK 0.0325 460 H117 -33.9693 -14.2504 0.8303 H 1 UNK 0.0325 461 H118 -33.2642 -9.2228 1.7186 H 1 UNK 0.0592 462 H119 -34.4579 -7.0594 1.3148 H 1 UNK 0.1495 463 H120 -35.4637 -9.9974 -0.2038 H 1 UNK 0.0252 464 H121 -35.6715 -9.0216 1.2307 H 1 UNK 0.0252 465 H122 -35.2070 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27.0308 8.2098 3.1166 H 1 UNK 0.0268 633 H290 29.4003 8.7832 3.3388 H 1 UNK 0.0317 634 H291 29.7056 8.2162 1.7119 H 1 UNK 0.0317 635 H292 28.9759 5.9443 2.3888 H 1 UNK 0.0813 636 H293 28.7408 6.5201 4.0208 H 1 UNK 0.0813 637 H294 31.2716 6.5533 2.5472 H 1 UNK 0.1994 638 H295 30.8674 5.4826 3.7575 H 1 UNK 0.1994 639 H296 31.0479 7.1018 4.1040 H 1 UNK 0.1994 640 H297 27.0823 8.6718 -0.2257 H 1 UNK 0.0594 641 H298 33.5255 8.6600 -1.2036 H 1 UNK 0.1495 642 H299 31.0126 11.3335 0.0645 H 1 UNK 0.0288 643 H300 31.6978 10.3512 1.3556 H 1 UNK 0.0288 644 H301 33.1921 11.9434 -0.2380 H 1 UNK 0.0268 645 H302 33.2735 10.4466 -1.1321 H 1 UNK 0.0268 646 H303 33.9723 9.2773 0.9577 H 1 UNK 0.0317 647 H304 33.9746 10.8166 1.7868 H 1 UNK 0.0317 648 H305 35.6955 11.6584 0.2455 H 1 UNK 0.0813 649 H306 35.6786 10.1416 -0.6190 H 1 UNK 0.0813 650 H307 36.3804 10.4896 2.2035 H 1 UNK 0.1994 651 H308 37.4584 10.2280 0.9610 H 1 UNK 0.1994 652 H309 36.3657 9.0424 1.3789 H 1 UNK 0.1994 653 H310 31.2192 9.3636 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13 am 13 13 14 2 14 15 11 1 15 13 15 1 16 16 12 1 17 17 16 1 18 17 23 2 19 18 17 am 20 16 19 1 21 19 22 1 22 20 21 ar 23 22 20 1 24 20 24 ar 25 25 26 am 26 26 27 2 27 28 18 1 28 26 28 1 29 30 29 2 30 31 30 am 31 32 25 1 32 30 32 1 33 32 33 1 34 33 34 1 35 33 35 1 36 37 31 1 37 37 36 1 38 44 37 1 39 36 38 1 40 38 42 ar 41 38 43 ar 42 43 39 ar 43 39 40 ar 44 41 40 ar 45 42 41 ar 46 45 44 am 47 44 46 2 48 48 47 2 49 49 48 am 50 50 45 1 51 48 50 1 52 50 51 1 53 51 52 1 54 51 53 1 55 55 49 1 56 54 55 1 57 55 56 1 58 57 54 am 59 54 58 2 60 56 59 1 61 60 61 am 62 61 62 2 63 63 57 1 64 61 63 1 65 63 64 1 66 64 65 1 67 65 66 ar 68 65 67 ar 69 68 71 am 70 74 69 1 71 71 72 2 72 73 60 1 73 73 70 1 74 71 73 1 75 70 74 1 76 74 75 1 77 77 68 1 78 76 77 1 79 77 78 1 80 79 76 am 81 76 80 2 82 78 81 1 83 82 88 am 84 83 84 1 85 84 85 1 86 85 86 1 87 86 87 1 88 88 89 2 89 90 79 1 90 90 83 1 91 88 90 1 92 92 91 am 93 93 98 2 94 94 93 am 95 95 82 1 96 93 95 1 97 95 96 1 98 97 92 1 99 96 97 1 100 92 99 2 101 101 100 2 102 102 101 am 103 103 94 1 104 101 103 1 105 103 104 1 106 104 105 1 107 105 106 1 108 106 107 1 109 108 102 1 110 109 108 1 111 109 115 2 112 110 109 am 113 108 111 1 114 111 114 1 115 112 113 ar 116 114 112 1 117 112 116 ar 118 117 110 1 119 118 117 1 120 118 124 2 121 119 118 am 122 117 120 1 123 120 123 1 124 121 122 ar 125 123 121 1 126 121 125 ar 127 126 119 1 128 127 126 1 129 127 133 2 130 128 127 am 131 126 129 1 132 129 132 1 133 130 131 ar 134 132 130 1 135 130 134 ar 136 136 128 1 137 135 136 1 138 136 139 1 139 137 135 am 140 135 138 2 141 141 140 2 142 142 141 am 143 143 137 1 144 141 143 1 145 143 144 1 146 144 145 1 147 144 146 1 148 148 147 2 149 149 148 am 150 150 142 1 151 148 150 1 152 150 151 1 153 151 152 1 154 152 153 1 155 153 154 1 156 154 155 1 157 155 156 2 158 155 157 1 159 158 161 am 160 164 159 1 161 161 162 2 162 163 149 1 163 163 160 1 164 161 163 1 165 160 164 1 166 164 165 1 167 167 158 1 168 167 166 1 169 174 167 1 170 166 168 1 171 168 172 ar 172 168 173 ar 173 173 169 ar 174 169 170 ar 175 171 170 ar 176 172 171 ar 177 175 174 am 178 174 176 2 179 178 179 1 180 177 180 am 181 180 181 2 182 182 175 1 183 180 182 1 184 183 178 1 185 182 183 1 186 183 184 1 187 185 186 2 188 187 177 1 189 185 187 1 190 188 185 am 191 187 189 1 192 189 190 1 193 190 191 1 194 191 192 ar 195 191 193 ar 196 194 195 ar 197 194 198 ar 198 207 194 1 199 195 196 ar 200 197 196 ar 201 198 197 ar 202 197 200 ar 203 198 199 ar 204 199 202 ar 205 200 201 ar 206 202 201 ar 207 204 203 2 208 205 204 am 209 206 188 1 210 204 206 1 211 206 207 1 212 208 211 am 213 214 209 1 214 211 212 2 215 213 205 1 216 213 210 1 217 211 213 1 218 210 214 1 219 214 215 1 220 216 222 am 221 217 218 1 222 218 219 1 223 219 220 1 224 220 221 1 225 222 223 2 226 224 208 1 227 224 217 1 228 222 224 1 229 228 227 am 230 226 228 1 231 228 229 2 232 225 230 am 233 230 231 2 234 232 216 1 235 232 226 1 236 230 232 1 237 233 234 am 238 234 235 2 239 236 225 1 240 234 236 1 241 238 237 2 242 239 238 am 243 239 247 1 244 240 233 1 245 238 240 1 246 241 239 1 247 241 242 1 248 243 241 1 249 242 244 1 250 243 245 2 251 246 243 am 252 244 247 1 253 249 246 1 254 248 249 1 255 249 250 1 256 251 248 am 257 248 252 2 258 250 253 1 259 255 251 1 260 254 255 1 261 255 256 1 262 257 254 am 263 254 258 2 264 256 259 1 265 260 261 am 266 261 262 2 267 263 257 1 268 261 263 1 269 265 264 2 270 266 265 am 271 266 272 1 272 267 260 1 273 265 267 1 274 267 268 1 275 269 266 1 276 269 270 1 277 273 269 1 278 270 271 1 279 271 272 1 280 273 274 2 281 275 273 am 282 275 279 1 283 276 275 1 284 276 277 1 285 280 276 1 286 277 278 1 287 278 279 1 288 280 281 2 289 282 280 am 290 284 282 1 291 283 284 1 292 284 285 1 293 286 283 am 294 283 287 2 295 285 288 1 296 289 295 am 297 290 291 1 298 291 292 1 299 292 293 1 300 293 294 1 301 295 296 2 302 297 286 1 303 297 290 1 304 295 297 1 305 298 304 am 306 299 300 1 307 300 301 1 308 301 302 1 309 302 303 1 310 304 305 2 311 306 289 1 312 306 299 1 313 304 306 1 314 307 313 am 315 308 309 1 316 309 310 1 317 310 311 1 318 311 312 1 319 313 314 2 320 315 298 1 321 315 308 1 322 313 315 1 323 316 322 am 324 317 318 1 325 318 319 1 326 319 320 1 327 320 321 1 328 322 323 2 329 324 307 1 330 324 317 1 331 322 324 1 332 325 331 am 333 326 327 1 334 327 328 1 335 328 329 1 336 329 330 1 337 331 332 2 338 333 316 1 339 333 326 1 340 331 333 1 341 340 334 am 342 335 336 1 343 336 337 1 344 337 338 1 345 338 339 1 346 340 341 2 347 342 325 1 348 342 335 1 349 342 340 1 350 2 343 1 351 2 344 1 352 3 345 1 353 4 346 1 354 5 347 1 355 5 348 1 356 5 349 1 357 6 350 1 358 7 351 1 359 11 352 1 360 12 353 1 361 15 354 1 362 15 355 1 363 16 356 1 364 18 357 1 365 19 358 1 366 19 359 1 367 22 360 1 368 22 361 1 369 25 362 1 370 28 363 1 371 28 364 1 372 31 365 1 373 32 366 1 374 33 367 1 375 34 368 1 376 35 369 1 377 35 370 1 378 35 371 1 379 36 372 1 380 36 373 1 381 37 374 1 382 39 375 1 383 40 376 1 384 41 377 1 385 42 378 1 386 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