@MOLECULE FDBD01793 132 137 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.9204 3.7211 -0.7305 C.ar 1 UNK -0.0563 2 C1 -0.9225 2.3244 -0.7488 C.ar 1 UNK -0.0404 3 C2 0.0004 1.6044 0.0159 C.ar 1 UNK 0.0307 4 C3 0.9275 2.3002 0.7977 C.ar 1 UNK -0.0404 5 C4 0.9329 3.6970 0.8142 C.ar 1 UNK -0.0563 6 C5 0.0080 4.4152 0.0506 C.ar 1 UNK -0.0419 7 N -0.0037 0.2502 -0.0004 N.pl3 1 UNK -0.3157 8 C6 -0.0030 5.9456 0.0572 C.3 1 UNK -0.0127 9 C7 0.2891 6.4639 -1.3636 C.3 1 UNK -0.0560 10 C8 -0.9770 -0.5012 -0.7710 C.3 1 UNK 0.0494 11 C9 -0.5052 -1.9597 -0.6191 C.3 1 UNK -0.0282 12 C10 0.4892 -1.9773 0.5594 C.3 1 UNK -0.0282 13 C11 0.9655 -0.5250 0.7510 C.3 1 UNK 0.0494 14 C12 2.5206 0.0357 -1.1793 C.ar 1 UNK -0.0550 15 C13 2.3593 -0.3796 0.1454 C.ar 1 UNK -0.0270 16 C14 3.4829 -0.6628 0.9255 C.ar 1 UNK -0.0550 17 C15 4.7620 -0.5477 0.3759 C.ar 1 UNK -0.0402 18 C16 4.9275 -0.1372 -0.9507 C.ar 1 UNK 0.0335 19 C17 3.8016 0.1653 -1.7209 C.ar 1 UNK -0.0402 20 C18 -4.9356 -0.1435 0.9454 C.ar 1 UNK 0.0335 21 C19 -4.7728 -0.5322 -0.3880 C.ar 1 UNK -0.0402 22 C20 -3.4947 -0.6382 -0.9419 C.ar 1 UNK -0.0550 23 C21 -2.3696 -0.3672 -0.1597 C.ar 1 UNK -0.0270 24 C22 -2.5282 0.0257 1.1721 C.ar 1 UNK -0.0550 25 C23 -3.8082 0.1464 1.7183 C.ar 1 UNK -0.0402 26 N1 -6.2265 -0.0347 1.5272 N.am 1 UNK -0.2840 27 C24 -7.3373 -0.5449 0.9539 C.2 1 UNK 0.2377 28 C25 -8.6187 -0.3163 1.7082 C.3 1 UNK 0.1026 29 O -7.3530 -1.1620 -0.0993 O.2 1 UNK -0.2734 30 N2 -9.7025 -1.0895 1.1355 N.am 1 UNK -0.2884 31 C26 -10.1382 -2.2879 1.8207 C.3 1 UNK 0.0156 32 C27 -9.2832 -2.2684 3.1023 C.3 1 UNK -0.0350 33 C28 -8.4929 -0.9415 3.1117 C.3 1 UNK -0.0243 34 C29 -10.2795 -0.6900 -0.0210 C.2 1 UNK 0.2369 35 C30 -11.4100 -1.4754 -0.6339 C.3 1 UNK 0.1050 36 O1 -9.9082 0.3082 -0.6170 O.2 1 UNK -0.2735 37 C31 -12.7953 -1.1396 -0.0388 C.3 1 UNK -0.0196 38 C32 -12.9089 -1.5562 1.4394 C.3 1 UNK -0.0605 39 C33 -13.0923 0.3647 -0.1850 C.3 1 UNK -0.0605 40 N3 -11.1438 -2.9044 -0.6401 N.am 1 UNK -0.2696 41 C34 -11.8137 -3.7126 -1.4870 C.2 1 UNK 0.4006 42 O2 -12.6886 -3.0872 -2.2869 O.3 1 UNK -0.4537 43 C35 -13.3714 -3.9939 -3.1634 C.3 1 UNK 0.0833 44 O3 -11.6304 -4.9199 -1.5167 O.2 1 UNK -0.2265 45 N4 6.2195 -0.0187 -1.5280 N.am 1 UNK -0.2840 46 C36 7.3301 -0.5341 -0.9588 C.2 1 UNK 0.2377 47 C37 8.6126 -0.2920 -1.7071 C.3 1 UNK 0.1026 48 O4 7.3449 -1.1650 0.0863 O.2 1 UNK -0.2734 49 N5 9.6970 -1.0701 -1.1424 N.am 1 UNK -0.2884 50 C38 10.1370 -2.2583 -1.8428 C.3 1 UNK 0.0156 51 C39 9.2836 -2.2243 -3.1252 C.3 1 UNK -0.0350 52 C40 8.4910 -0.8989 -3.1190 C.3 1 UNK -0.0243 53 C41 10.2702 -0.6851 0.0210 C.2 1 UNK 0.2369 54 C42 11.4010 -1.4758 0.6267 C.3 1 UNK 0.1050 55 O5 9.8946 0.3042 0.6291 O.2 1 UNK -0.2735 56 C43 12.7870 -1.1284 0.0399 C.3 1 UNK -0.0196 57 C44 12.9039 -1.5218 -1.4445 C.3 1 UNK -0.0605 58 C45 13.0811 0.3740 0.2100 C.3 1 UNK -0.0605 59 N6 11.1386 -2.9054 0.6133 N.am 1 UNK -0.2696 60 C46 11.8082 -3.7233 1.4514 C.2 1 UNK 0.4006 61 O6 12.6787 -3.1071 2.2631 O.3 1 UNK -0.4537 62 C47 13.3615 -4.0246 3.1284 C.3 1 UNK 0.0833 63 O7 11.6284 -4.9315 1.4636 O.2 1 UNK -0.2265 64 C48 1.0596 6.5128 1.0196 C.3 1 UNK -0.0560 65 C49 -1.3900 6.4471 0.5019 C.3 1 UNK -0.0560 66 H -1.6076 4.2431 -1.2964 H 1 UNK 0.0621 67 H1 -1.6099 1.8205 -1.3307 H 1 UNK 0.0636 68 H2 1.6125 1.7783 1.3664 H 1 UNK 0.0636 69 H3 1.6229 4.2011 1.3928 H 1 UNK 0.0621 70 H4 1.2517 6.1187 -1.6783 H 1 UNK 0.0238 71 H5 0.2767 7.5338 -1.3625 H 1 UNK 0.0238 72 H6 -0.4582 6.0992 -2.0369 H 1 UNK 0.0238 73 H7 -1.0409 -0.1653 -1.7849 H 1 UNK 0.0550 74 H8 -0.0217 -2.2872 -1.5157 H 1 UNK 0.0287 75 H9 -1.3303 -2.6167 -0.4392 H 1 UNK 0.0287 76 H10 1.3202 -2.6120 0.3325 H 1 UNK 0.0287 77 H11 0.0288 -2.3542 1.4487 H 1 UNK 0.0287 78 H12 1.0287 -0.2167 1.7737 H 1 UNK 0.0550 79 H13 1.6925 0.2468 -1.7578 H 1 UNK 0.0621 80 H14 3.3680 -0.9571 1.9080 H 1 UNK 0.0621 81 H15 5.5896 -0.7669 0.9522 H 1 UNK 0.0636 82 H16 3.9171 0.4861 -2.6949 H 1 UNK 0.0636 83 H17 -5.6015 -0.7419 -0.9661 H 1 UNK 0.0636 84 H18 -3.3818 -0.9168 -1.9292 H 1 UNK 0.0621 85 H19 -1.6989 0.2268 1.7525 H 1 UNK 0.0621 86 H20 -3.9218 0.4512 2.6977 H 1 UNK 0.0636 87 H21 -6.3155 0.4343 2.3882 H 1 UNK 0.1549 88 H22 -8.7981 0.7385 1.6948 H 1 UNK 0.0597 89 H23 -9.9390 -3.1617 1.2362 H 1 UNK 0.0465 90 H24 -11.1910 -2.3120 2.0105 H 1 UNK 0.0465 91 H25 -8.6062 -3.0970 3.1027 H 1 UNK 0.0281 92 H26 -9.9035 -2.3442 3.9708 H 1 UNK 0.0281 93 H27 -7.4640 -1.1308 3.3362 H 1 UNK 0.0288 94 H28 -8.8807 -0.2775 3.8558 H 1 UNK 0.0288 95 H29 -11.4574 -1.1586 -1.6548 H 1 UNK 0.0598 96 H30 -13.5199 -1.7015 -0.5903 H 1 UNK 0.0318 97 H31 -12.1948 -1.0102 2.0197 H 1 UNK 0.0233 98 H32 -12.7156 -2.6047 1.5303 H 1 UNK 0.0233 99 H33 -13.8953 -1.3432 1.7952 H 1 UNK 0.0233 100 H34 -12.3677 0.9266 0.3665 H 1 UNK 0.0233 101 H35 -14.0704 0.5737 0.1951 H 1 UNK 0.0233 102 H36 -13.0451 0.6388 -1.2182 H 1 UNK 0.0233 103 H37 -10.4740 -3.2826 -0.0256 H 1 UNK 0.1528 104 H38 -14.0556 -3.4479 -3.7787 H 1 UNK 0.0661 105 H39 -13.9099 -4.7136 -2.5829 H 1 UNK 0.0661 106 H40 -12.6581 -4.4967 -3.7825 H 1 UNK 0.0661 107 H41 6.3096 0.4614 -2.3827 H 1 UNK 0.1549 108 H42 8.7895 0.7629 -1.6793 H 1 UNK 0.0597 109 H43 9.9395 -3.1403 -1.2701 H 1 UNK 0.0465 110 H44 11.1901 -2.2770 -2.0314 H 1 UNK 0.0465 111 H45 8.6081 -3.0541 -3.1368 H 1 UNK 0.0281 112 H46 9.9051 -2.2882 -3.9938 H 1 UNK 0.0281 113 H47 7.4629 -1.0871 -3.3483 H 1 UNK 0.0288 114 H48 8.8792 -0.2245 -3.8535 H 1 UNK 0.0288 115 H49 11.4446 -1.1726 1.6519 H 1 UNK 0.0598 116 H50 13.5116 -1.6973 0.5841 H 1 UNK 0.0318 117 H51 12.1898 -0.9681 -2.0175 H 1 UNK 0.0233 118 H52 12.7126 -2.5691 -1.5521 H 1 UNK 0.0233 119 H53 13.8905 -1.3016 -1.7952 H 1 UNK 0.0233 120 H54 12.3566 0.9431 -0.3342 H 1 UNK 0.0233 121 H55 14.0596 0.5906 -0.1649 H 1 UNK 0.0233 122 H56 13.0314 0.6320 1.2472 H 1 UNK 0.0233 123 H57 10.4715 -3.2771 -0.0080 H 1 UNK 0.1528 124 H58 14.0422 -3.4857 3.7538 H 1 UNK 0.0661 125 H59 13.9040 -4.7341 2.5392 H 1 UNK 0.0661 126 H60 12.6478 -4.5385 3.7378 H 1 UNK 0.0661 127 H61 2.0290 6.1717 0.7217 H 1 UNK 0.0238 128 H62 0.8541 6.1783 2.0150 H 1 UNK 0.0238 129 H63 1.0331 7.5821 0.9901 H 1 UNK 0.0238 130 H64 -2.1377 6.0603 -0.1585 H 1 UNK 0.0238 131 H65 -1.4084 7.5166 0.4741 H 1 UNK 0.0238 132 H66 -1.5873 6.1128 1.4990 H 1 UNK 0.0238 @BOND 1 2 1 ar 2 1 6 ar 3 3 2 ar 4 3 4 ar 5 7 3 1 6 4 5 ar 7 5 6 ar 8 6 8 1 9 10 7 1 10 7 13 1 11 8 9 1 12 8 64 1 13 8 65 1 14 10 11 1 15 23 10 1 16 11 12 1 17 12 13 1 18 13 15 1 19 15 14 ar 20 14 19 ar 21 15 16 ar 22 16 17 ar 23 17 18 ar 24 19 18 ar 25 21 20 ar 26 20 25 ar 27 20 26 1 28 22 21 ar 29 22 23 ar 30 23 24 ar 31 24 25 ar 32 26 27 am 33 27 29 2 34 27 28 1 35 28 30 1 36 30 31 1 37 30 34 am 38 31 32 1 39 32 33 1 40 33 28 1 41 34 36 2 42 34 35 1 43 35 37 1 44 35 40 1 45 37 38 1 46 37 39 1 47 40 41 am 48 41 42 1 49 41 44 2 50 42 43 1 51 18 45 1 52 45 46 am 53 46 48 2 54 46 47 1 55 47 49 1 56 49 50 1 57 49 53 am 58 50 51 1 59 51 52 1 60 52 47 1 61 53 55 2 62 53 54 1 63 54 56 1 64 54 59 1 65 56 57 1 66 56 58 1 67 59 60 am 68 60 61 1 69 60 63 2 70 61 62 1 71 1 66 1 72 2 67 1 73 4 68 1 74 5 69 1 75 9 70 1 76 9 71 1 77 9 72 1 78 10 73 1 79 11 74 1 80 11 75 1 81 12 76 1 82 12 77 1 83 13 78 1 84 14 79 1 85 16 80 1 86 17 81 1 87 19 82 1 88 21 83 1 89 22 84 1 90 24 85 1 91 25 86 1 92 26 87 1 93 28 88 1 94 31 89 1 95 31 90 1 96 32 91 1 97 32 92 1 98 33 93 1 99 33 94 1 100 35 95 1 101 37 96 1 102 38 97 1 103 38 98 1 104 38 99 1 105 39 100 1 106 39 101 1 107 39 102 1 108 40 103 1 109 43 104 1 110 43 105 1 111 43 106 1 112 45 107 1 113 47 108 1 114 50 109 1 115 50 110 1 116 51 111 1 117 51 112 1 118 52 113 1 119 52 114 1 120 54 115 1 121 56 116 1 122 57 117 1 123 57 118 1 124 57 119 1 125 58 120 1 126 58 121 1 127 58 122 1 128 59 123 1 129 62 124 1 130 62 125 1 131 62 126 1 132 64 127 1 133 64 128 1 134 64 129 1 135 65 130 1 136 65 131 1 137 65 132 1