@MOLECULE FDBD02011 140 146 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.7968 3.9854 -0.2156 C.3 1 UNK -0.0650 2 C1 -0.9089 2.5170 -0.6304 C.3 1 UNK -0.0509 3 C2 -0.4923 2.3676 -2.0950 C.3 1 UNK -0.0171 4 C3 -1.4846 3.1170 -2.9865 C.3 1 UNK -0.0601 5 C4 -0.4844 0.8854 -2.4744 C.3 1 UNK 0.0708 6 C5 0.0495 0.7264 -3.8968 C.3 1 UNK 0.0011 7 C6 1.5666 0.9246 -3.8931 C.3 1 UNK -0.0566 8 C7 -0.2713 -0.6444 -4.4218 C.2 1 UNK -0.0777 9 C8 -1.1300 -1.4295 -3.8453 C.2 1 UNK -0.0290 10 C9 -1.8959 -1.0430 -2.6068 C.3 1 UNK 0.1935 11 C10 -3.3560 -1.4529 -2.7933 C.3 1 UNK 0.0426 12 C11 -4.1493 -1.2077 -1.5084 C.3 1 UNK 0.1107 13 C12 -3.4702 -1.9183 -0.3412 C.3 1 UNK 0.0113 14 C13 -2.0140 -1.4714 -0.2349 C.3 1 UNK 0.0690 15 C14 -1.3125 -2.2739 0.8643 C.3 1 UNK -0.0078 16 C15 -1.6483 -1.7296 2.2275 C.2 1 UNK -0.0801 17 C16 -2.1428 -2.5350 3.1375 C.2 1 UNK -0.0475 18 C17 -2.3921 -3.9844 2.8032 C.3 1 UNK -0.0413 19 C18 -2.4477 -2.0294 4.5238 C.3 1 UNK 0.0884 20 C19 -3.9206 -2.3013 4.8542 C.3 1 UNK 0.0048 21 C20 -4.3237 -1.5059 6.0975 C.3 1 UNK -0.0563 22 C21 -4.7591 -1.8738 3.6826 C.2 1 UNK -0.0784 23 C22 -5.9643 -2.3810 3.4462 C.2 1 UNK -0.0652 24 C23 -6.6634 -1.9004 2.2436 C.2 1 UNK -0.0578 25 C24 -7.7930 -2.4286 1.8086 C.2 1 UNK -0.0094 26 C25 -8.6448 -3.5251 2.3877 C.3 1 UNK 0.0724 27 O -9.8580 -3.6180 1.6421 O.3 1 UNK -0.3661 28 C26 -9.8412 -2.7217 0.5297 C.3 1 UNK 0.1222 29 C27 -10.0485 -3.5011 -0.7650 C.3 1 UNK 0.1052 30 C28 -9.6281 -2.6790 -1.9590 C.2 1 UNK -0.0450 31 C29 -8.4232 -2.1273 -1.9234 C.2 1 UNK -0.0658 32 C30 -7.6407 -2.4026 -0.6586 C.3 1 UNK 0.1099 33 C31 -6.3424 -1.6445 -0.6476 C.2 1 UNK 0.3175 34 O1 -6.0694 -0.9307 0.2882 O.2 1 UNK -0.2501 35 O2 -5.4866 -1.7587 -1.6736 O.3 1 UNK -0.4606 36 C32 -8.5003 -1.9924 0.5349 C.3 1 UNK 0.1344 37 O3 -8.6944 -0.5819 0.5492 O.3 1 UNK -0.3804 38 C33 -10.5407 -2.4933 -3.1437 C.3 1 UNK -0.0413 39 O4 -9.2687 -4.6979 -0.7240 O.3 1 UNK -0.3848 40 O5 -2.1974 -0.6238 4.5841 O.3 1 UNK -0.3432 41 C34 -0.8621 -0.2870 4.9656 C.3 1 UNK 0.1628 42 C35 -0.6729 1.2296 4.8770 C.3 1 UNK 0.0273 43 C36 -1.6246 1.9135 5.8634 C.3 1 UNK 0.0915 44 C37 -1.3555 1.3753 7.2720 C.3 1 UNK 0.1137 45 C38 -1.5183 -0.1469 7.2681 C.3 1 UNK 0.0875 46 C39 -1.1928 -0.6985 8.6576 C.3 1 UNK -0.0361 47 O6 -0.6269 -0.7177 6.3077 O.3 1 UNK -0.3456 48 O7 -2.2854 1.9539 8.1900 O.3 1 UNK -0.3429 49 C40 -1.8544 3.1968 8.7480 C.3 1 UNK 0.1626 50 C41 -3.0297 3.8716 9.4601 C.3 1 UNK 0.0268 51 C42 -3.4963 2.9804 10.6153 C.3 1 UNK 0.0876 52 C43 -2.3157 2.7240 11.5569 C.3 1 UNK 0.1062 53 C44 -1.1680 2.0936 10.7638 C.3 1 UNK 0.0836 54 C45 0.0367 1.8893 11.6846 C.3 1 UNK -0.0365 55 O8 -0.8033 2.9590 9.6864 O.3 1 UNK -0.3461 56 N -1.8707 3.9919 12.1405 N.2 1 UNK -0.2465 57 C46 -1.8927 4.1561 13.4203 C.2 1 UNK 0.1796 58 C47 -1.4349 5.4604 14.0206 C.3 1 UNK 0.0112 59 O9 -2.3256 3.1601 14.2208 O.2 1 UNK -0.4958 60 O10 -4.5466 3.6350 11.3299 O.3 1 UNK -0.3774 61 C48 -5.8553 3.3445 10.8349 C.3 1 UNK 0.0369 62 O11 -1.4048 3.3252 5.8390 O.3 1 UNK -0.3770 63 C49 -2.2072 4.0220 4.8837 C.3 1 UNK 0.0369 64 O12 -1.3459 -1.7181 -1.4759 O.3 1 UNK -0.3413 65 O13 -1.8168 0.3682 -2.4059 O.3 1 UNK -0.3409 66 H -1.0881 4.0899 0.8087 H 1 UNK 0.0230 67 H1 -1.4387 4.5800 -0.8315 H 1 UNK 0.0230 68 H2 0.2149 4.3132 -0.3339 H 1 UNK 0.0230 69 H3 -1.9206 2.1892 -0.5121 H 1 UNK 0.0266 70 H4 -0.2670 1.9224 -0.0145 H 1 UNK 0.0266 71 H5 0.4875 2.7756 -2.2305 H 1 UNK 0.0323 72 H6 -2.4644 2.7090 -2.8510 H 1 UNK 0.0233 73 H7 -1.1932 3.0125 -4.0108 H 1 UNK 0.0233 74 H8 -1.4901 4.1536 -2.7212 H 1 UNK 0.0233 75 H9 0.1431 0.3473 -1.7950 H 1 UNK 0.0605 76 H10 -0.4124 1.4579 -4.5264 H 1 UNK 0.0365 77 H11 2.0208 0.1898 -3.2617 H 1 UNK 0.0236 78 H12 1.7976 1.9026 -3.5256 H 1 UNK 0.0236 79 H13 1.9424 0.8201 -4.8895 H 1 UNK 0.0236 80 H14 0.2093 -0.9746 -5.2733 H 1 UNK 0.0574 81 H15 -1.2956 -2.3622 -4.2548 H 1 UNK 0.0622 82 H16 -3.4009 -2.4926 -3.0419 H 1 UNK 0.0357 83 H17 -3.7823 -0.8668 -3.5805 H 1 UNK 0.0357 84 H18 -4.1963 -0.1571 -1.3113 H 1 UNK 0.0736 85 H19 -3.5058 -2.9757 -0.5008 H 1 UNK 0.0326 86 H20 -3.9809 -1.6713 0.5660 H 1 UNK 0.0326 87 H21 -1.9838 -0.4271 -0.0037 H 1 UNK 0.0601 88 H22 -0.2542 -2.2189 0.7165 H 1 UNK 0.0332 89 H23 -1.6461 -3.2892 0.8109 H 1 UNK 0.0332 90 H24 -1.4910 -0.7329 2.4439 H 1 UNK 0.0573 91 H25 -2.1220 -4.1669 1.7841 H 1 UNK 0.0275 92 H26 -3.4287 -4.2095 2.9432 H 1 UNK 0.0275 93 H27 -1.8025 -4.6050 3.4451 H 1 UNK 0.0275 94 H28 -1.8242 -2.5331 5.2326 H 1 UNK 0.0650 95 H29 -4.0680 -3.3433 5.0478 H 1 UNK 0.0369 96 H30 -4.1801 -0.4614 5.9148 H 1 UNK 0.0236 97 H31 -3.7191 -1.8093 6.9266 H 1 UNK 0.0236 98 H32 -5.3537 -1.6907 6.3207 H 1 UNK 0.0236 99 H33 -4.3851 -1.1600 3.0379 H 1 UNK 0.0576 100 H34 -6.3900 -3.0789 4.0761 H 1 UNK 0.0615 101 H35 -6.2521 -1.1146 1.7160 H 1 UNK 0.0619 102 H36 -8.8688 -3.3025 3.4100 H 1 UNK 0.0608 103 H37 -8.1184 -4.4553 2.3364 H 1 UNK 0.0608 104 H38 -10.6332 -2.0059 0.6020 H 1 UNK 0.0658 105 H39 -11.0879 -3.7372 -0.8586 H 1 UNK 0.0667 106 H40 -8.0490 -1.5557 -2.6969 H 1 UNK 0.0581 107 H41 -7.4041 -3.4448 -0.6070 H 1 UNK 0.0489 108 H42 -9.2415 -0.3385 1.3123 H 1 UNK 0.2108 109 H43 -11.4582 -3.0167 -2.9727 H 1 UNK 0.0275 110 H44 -10.0679 -2.8800 -4.0222 H 1 UNK 0.0275 111 H45 -10.7441 -1.4513 -3.2774 H 1 UNK 0.0275 112 H46 -8.3298 -4.4693 -0.6392 H 1 UNK 0.2103 113 H47 -0.1709 -0.7721 4.3085 H 1 UNK 0.0911 114 H48 -0.8898 1.5600 3.8827 H 1 UNK 0.0340 115 H49 0.3385 1.4809 5.1198 H 1 UNK 0.0340 116 H50 -2.6384 1.7108 5.5877 H 1 UNK 0.0624 117 H51 -0.3599 1.6294 7.5706 H 1 UNK 0.0649 118 H52 -2.5267 -0.3976 7.0127 H 1 UNK 0.0621 119 H53 -0.1845 -0.4481 8.9135 H 1 UNK 0.0255 120 H54 -1.3062 -1.7625 8.6545 H 1 UNK 0.0255 121 H55 -1.8600 -0.2707 9.3764 H 1 UNK 0.0255 122 H56 -1.4974 3.8337 7.9658 H 1 UNK 0.0910 123 H57 -3.8342 4.0122 8.7688 H 1 UNK 0.0340 124 H58 -2.7215 4.8227 9.8412 H 1 UNK 0.0340 125 H59 -3.8593 2.0502 10.2308 H 1 UNK 0.0619 126 H60 -2.6174 2.0611 12.3408 H 1 UNK 0.0597 127 H61 -1.4812 1.1484 10.3723 H 1 UNK 0.0616 128 H62 0.3504 2.8343 12.0765 H 1 UNK 0.0255 129 H63 0.8389 1.4491 11.1300 H 1 UNK 0.0255 130 H64 -0.2367 1.2417 12.4913 H 1 UNK 0.0255 131 H65 -1.1297 6.1249 13.2394 H 1 UNK 0.0324 132 H66 -0.6102 5.2804 14.6782 H 1 UNK 0.0324 133 H67 -2.2397 5.9020 14.5704 H 1 UNK 0.0324 134 H68 -2.6102 2.3492 13.8475 H 1 UNK 0.2934 135 H69 -6.5822 3.8691 11.4191 H 1 UNK 0.0524 136 H70 -6.0363 2.2920 10.9015 H 1 UNK 0.0524 137 H71 -5.9273 3.6548 9.8134 H 1 UNK 0.0524 138 H72 -1.9854 5.0679 4.9267 H 1 UNK 0.0524 139 H73 -3.2422 3.8675 5.1068 H 1 UNK 0.0524 140 H74 -1.9949 3.6524 3.9023 H 1 UNK 0.0524 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 5 65 1 6 5 6 1 7 6 7 1 8 6 8 1 9 8 9 2 10 9 10 1 11 10 64 1 12 10 11 1 13 10 65 1 14 11 12 1 15 12 35 1 16 12 13 1 17 13 14 1 18 14 15 1 19 14 64 1 20 15 16 1 21 16 17 2 22 17 18 1 23 17 19 1 24 19 20 1 25 19 40 1 26 20 21 1 27 20 22 1 28 22 23 2 29 23 24 1 30 24 25 2 31 25 36 1 32 25 26 1 33 26 27 1 34 27 28 1 35 28 36 1 36 28 29 1 37 29 30 1 38 29 39 1 39 30 31 2 40 30 38 1 41 31 32 1 42 32 33 1 43 32 36 1 44 33 34 2 45 33 35 1 46 36 37 1 47 40 41 1 48 41 47 1 49 41 42 1 50 42 43 1 51 43 44 1 52 43 62 1 53 44 45 1 54 44 48 1 55 45 46 1 56 45 47 1 57 48 49 1 58 49 55 1 59 49 50 1 60 50 51 1 61 51 52 1 62 51 60 1 63 52 53 1 64 52 56 1 65 53 54 1 66 53 55 1 67 56 57 2 68 57 58 1 69 57 59 1 70 60 61 1 71 62 63 1 72 1 66 1 73 1 67 1 74 1 68 1 75 2 69 1 76 2 70 1 77 3 71 1 78 4 72 1 79 4 73 1 80 4 74 1 81 5 75 1 82 6 76 1 83 7 77 1 84 7 78 1 85 7 79 1 86 8 80 1 87 9 81 1 88 11 82 1 89 11 83 1 90 12 84 1 91 13 85 1 92 13 86 1 93 14 87 1 94 15 88 1 95 15 89 1 96 16 90 1 97 18 91 1 98 18 92 1 99 18 93 1 100 19 94 1 101 20 95 1 102 21 96 1 103 21 97 1 104 21 98 1 105 22 99 1 106 23 100 1 107 24 101 1 108 26 102 1 109 26 103 1 110 28 104 1 111 29 105 1 112 31 106 1 113 32 107 1 114 37 108 1 115 38 109 1 116 38 110 1 117 38 111 1 118 39 112 1 119 41 113 1 120 42 114 1 121 42 115 1 122 43 116 1 123 44 117 1 124 45 118 1 125 46 119 1 126 46 120 1 127 46 121 1 128 49 122 1 129 50 123 1 130 50 124 1 131 51 125 1 132 52 126 1 133 53 127 1 134 54 128 1 135 54 129 1 136 54 130 1 137 58 131 1 138 58 132 1 139 58 133 1 140 59 134 1 141 61 135 1 142 61 136 1 143 61 137 1 144 63 138 1 145 63 139 1 146 63 140 1