@MOLECULE FDBD02325 85 88 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.1530 0.8281 -2.2893 C.3 1 UNK 0.0122 2 C1 -0.0702 -0.1753 -1.1680 C.2 1 UNK 0.2104 3 O -0.3671 0.1517 -0.0385 O.2 1 UNK -0.2761 4 N 0.3340 -1.4360 -1.4204 N.am 1 UNK -0.3053 5 C2 0.4145 -2.4115 -0.3303 C.3 1 UNK 0.1023 6 H 0.7283 -1.9097 0.5850 H 1 UNK 0.0575 7 C3 1.4301 -3.4999 -0.6914 C.3 1 UNK 0.1065 8 H1 2.4208 -3.0561 -0.7895 H 1 UNK 0.0640 9 C4 1.4486 -4.5543 0.4195 C.3 1 UNK 0.1112 10 H2 1.7827 -4.0966 1.3506 H 1 UNK 0.0646 11 C5 0.0362 -5.1155 0.6033 C.3 1 UNK 0.1130 12 H3 -0.2815 -5.6086 -0.3154 H 1 UNK 0.0647 13 C6 0.0342 -6.1264 1.7518 C.3 1 UNK 0.0730 14 O1 -1.2549 -6.7355 1.8480 O.3 1 UNK -0.3924 15 O2 -0.8636 -4.0475 0.9066 O.3 1 UNK -0.3412 16 C7 -0.9583 -3.0543 -0.1165 C.3 1 UNK 0.1808 17 H4 -1.2889 -3.5195 -1.0452 H 1 UNK 0.0930 18 O3 -1.8996 -2.0535 0.2766 O.3 1 UNK -0.3408 19 C8 -3.2526 -2.5115 0.3158 C.3 1 UNK 0.1177 20 H5 -3.3682 -3.3638 -0.3538 H 1 UNK 0.0650 21 C9 -4.1878 -1.3829 -0.1263 C.3 1 UNK 0.1133 22 H6 -4.0416 -0.5162 0.5183 H 1 UNK 0.0647 23 C10 -3.8763 -1.0000 -1.5745 C.3 1 UNK 0.0730 24 O4 -4.6633 0.1329 -1.9474 O.3 1 UNK -0.3924 25 O5 -5.5435 -1.8246 -0.0309 O.3 1 UNK -0.3412 26 C11 -5.9484 -2.1840 1.2916 C.3 1 UNK 0.1807 27 H7 -5.8253 -1.3277 1.9548 H 1 UNK 0.0930 28 C12 -5.0839 -3.3447 1.7907 C.3 1 UNK 0.1023 29 H8 -5.2374 -4.2142 1.1516 H 1 UNK 0.0575 30 C13 -3.6096 -2.9313 1.7451 C.3 1 UNK 0.1069 31 H9 -2.9855 -3.7727 2.0462 H 1 UNK 0.0640 32 O6 -3.3933 -1.8334 2.6338 O.3 1 UNK -0.3871 33 N1 -5.4581 -3.6771 3.1676 N.am 1 UNK -0.3053 34 C14 -6.4883 -4.5137 3.4027 C.2 1 UNK 0.2104 35 O7 -7.1055 -4.9915 2.4744 O.2 1 UNK -0.2761 36 C15 -6.8732 -4.8556 4.8190 C.3 1 UNK 0.0122 37 O8 -7.3205 -2.5828 1.2781 O.3 1 UNK -0.3430 38 C16 -8.2274 -1.5338 0.9330 C.3 1 UNK 0.0980 39 H10 -7.8165 -0.5723 1.2409 H 1 UNK 0.0628 40 C17 -9.5811 -1.7670 1.6185 C.3 1 UNK 0.0502 41 H11 -9.6651 -2.8057 1.9380 H 1 UNK 0.0386 42 C18 -9.7285 -0.8338 2.8220 C.3 1 UNK 0.0529 43 O9 -10.9383 -1.1411 3.5177 O.3 1 UNK -0.3945 44 C19 -10.6589 -1.4486 0.5654 C.3 1 UNK 0.1351 45 H12 -11.0578 -0.4371 0.6419 H 1 UNK 0.0761 46 C20 -9.9794 -1.7567 -0.7989 C.3 1 UNK 0.1212 47 H13 -10.3818 -1.1556 -1.6143 H 1 UNK 0.0610 48 C21 -8.4750 -1.5348 -0.5816 C.3 1 UNK 0.1076 49 H14 -7.9107 -2.3425 -1.0479 H 1 UNK 0.0642 50 O10 -8.0831 -0.2814 -1.1451 O.3 1 UNK -0.3870 51 N2 -10.2640 -3.1929 -0.9625 N.2 1 UNK -0.2270 52 C22 -11.2098 -3.5194 -0.1355 C.2 1 UNK 0.2807 53 N3 -11.7082 -4.7950 -0.0318 N.pl3 1 UNK -0.2918 54 C23 -11.1710 -5.8625 -0.8792 C.3 1 UNK 0.0044 55 C24 -12.7769 -5.0882 0.9264 C.3 1 UNK 0.0044 56 O11 -11.6700 -2.4783 0.6279 O.2 1 UNK -0.4596 57 O12 2.3407 -5.6112 0.0599 O.3 1 UNK -0.3865 58 O13 1.0559 -4.1117 -1.9274 O.3 1 UNK -0.3871 59 H15 0.8009 1.3470 -2.3838 H 1 UNK 0.0322 60 H16 -0.3801 0.3124 -3.2223 H 1 UNK 0.0322 61 H17 -0.9399 1.5507 -2.0728 H 1 UNK 0.0322 62 H18 0.5715 -1.6975 -2.3238 H 1 UNK 0.1492 63 H19 0.7852 -6.8933 1.5621 H 1 UNK 0.0584 64 H20 0.2651 -5.6150 2.6863 H 1 UNK 0.0584 65 H21 -1.3291 -7.3891 2.5568 H 1 UNK 0.2095 66 H22 -2.8185 -0.7535 -1.6657 H 1 UNK 0.0584 67 H23 -4.1120 -1.8380 -2.2306 H 1 UNK 0.0584 68 H24 -4.5172 0.4316 -2.8555 H 1 UNK 0.2095 69 H25 -3.6062 -2.0269 3.5571 H 1 UNK 0.2100 70 H26 -4.9645 -3.2950 3.9100 H 1 UNK 0.1492 71 H27 -6.2105 -4.3360 5.5111 H 1 UNK 0.0322 72 H28 -7.9026 -4.5466 5.0004 H 1 UNK 0.0322 73 H29 -6.7848 -5.9315 4.9699 H 1 UNK 0.0322 74 H30 -8.8796 -0.9685 3.4923 H 1 UNK 0.0562 75 H31 -9.7596 0.2002 2.4784 H 1 UNK 0.0562 76 H32 -11.0971 -0.5870 4.2942 H 1 UNK 0.2094 77 H33 -8.2237 -0.2182 -2.0997 H 1 UNK 0.2100 78 H34 -10.3349 -6.3435 -0.3715 H 1 UNK 0.0429 79 H35 -11.9506 -6.5992 -1.0734 H 1 UNK 0.0429 80 H36 -10.8279 -5.4391 -1.8232 H 1 UNK 0.0429 81 H37 -13.7448 -4.9446 0.4462 H 1 UNK 0.0429 82 H38 -12.6886 -6.1206 1.2645 H 1 UNK 0.0429 83 H39 -12.6925 -4.4173 1.7814 H 1 UNK 0.0429 84 H40 2.4020 -6.3156 0.7196 H 1 UNK 0.2100 85 H41 1.6565 -4.8119 -2.2173 H 1 UNK 0.2100 @BOND 1 1 2 1 2 1 59 1 3 1 60 1 4 1 61 1 5 2 3 2 6 2 4 am 7 4 5 1 8 4 62 1 9 5 6 1 10 5 16 1 11 5 7 1 12 7 8 1 13 7 9 1 14 7 58 1 15 9 10 1 16 9 11 1 17 9 57 1 18 11 12 1 19 11 13 1 20 11 15 1 21 13 14 1 22 13 63 1 23 13 64 1 24 14 65 1 25 15 16 1 26 16 17 1 27 16 18 1 28 18 19 1 29 19 20 1 30 19 30 1 31 19 21 1 32 21 22 1 33 21 23 1 34 21 25 1 35 23 24 1 36 23 66 1 37 23 67 1 38 24 68 1 39 25 26 1 40 26 27 1 41 26 28 1 42 26 37 1 43 28 29 1 44 28 30 1 45 28 33 1 46 30 31 1 47 30 32 1 48 32 69 1 49 33 34 am 50 33 70 1 51 34 35 2 52 34 36 1 53 36 71 1 54 36 72 1 55 36 73 1 56 37 38 1 57 38 39 1 58 38 48 1 59 38 40 1 60 40 41 1 61 40 42 1 62 40 44 1 63 42 43 1 64 42 74 1 65 42 75 1 66 43 76 1 67 44 45 1 68 44 56 1 69 44 46 1 70 46 47 1 71 46 48 1 72 46 51 1 73 48 49 1 74 48 50 1 75 50 77 1 76 51 52 2 77 52 53 1 78 52 56 1 79 53 54 1 80 53 55 1 81 54 78 1 82 54 79 1 83 54 80 1 84 55 81 1 85 55 82 1 86 55 83 1 87 57 84 1 88 58 85 1