@MOLECULE FDBD01836 153 161 0 0 0 SMALL GASTEIGER @ATOM 1 C -8.9487 -1.0666 -10.2379 C.3 1 UNK 0.0891 2 N -10.0316 -1.9689 -9.8259 N.4 1 UNK 0.2621 3 O -8.8084 0.0813 -9.3607 O.3 1 UNK -0.3336 4 C1 -7.6254 -1.8082 -10.4304 C.3 1 UNK 0.0285 5 C2 -6.6722 -1.9243 -9.4044 C.3 1 UNK -0.0426 6 C3 -5.4801 -2.6259 -9.6015 C.3 1 UNK -0.0525 7 C4 -5.2238 -3.2388 -10.8235 C.3 1 UNK -0.0530 8 C5 -6.1524 -3.1401 -11.8539 C.3 1 UNK -0.0525 9 C6 -7.3364 -2.4247 -11.6615 C.3 1 UNK -0.0426 10 N1 -14.4173 -6.2709 -11.7344 N.4 1 UNK 0.2700 11 C7 -13.2834 -5.7967 -12.3446 C.3 1 UNK 0.0266 12 C8 -12.4380 -4.7609 -11.7626 C.3 1 UNK 0.0078 13 C9 -12.4063 -4.5704 -10.3657 C.3 1 UNK -0.0368 14 C10 -11.3314 -3.1245 -8.4569 C.3 1 UNK -0.0013 15 C11 -11.5725 -3.5784 -9.7916 C.3 1 UNK 0.0077 16 C12 -10.4203 -2.0868 -8.5108 C.3 1 UNK -0.0123 17 C13 -9.8534 -1.1634 -7.5383 C.3 1 UNK 0.0286 18 C14 -10.0656 -1.2602 -6.1605 C.3 1 UNK -0.0423 19 C15 -9.5114 -0.3074 -5.2873 C.3 1 UNK -0.0443 20 C16 -8.1491 1.7227 -4.8663 C.3 1 UNK 0.0267 21 C17 -6.9614 2.3902 -5.0636 C.3 1 UNK 0.0161 22 N2 -6.8063 3.1698 -3.9533 N.4 1 UNK 0.2680 23 N3 -8.7093 2.1006 -3.6640 N.4 1 UNK 0.2700 24 C18 -8.7366 0.7523 -5.7768 C.3 1 UNK 0.0095 25 C19 -8.5386 0.8518 -7.1588 C.3 1 UNK -0.0178 26 C20 -9.0816 -0.1010 -8.0262 C.3 1 UNK 0.0727 27 C21 -10.7862 -2.7928 -10.6383 C.3 1 UNK -0.0149 28 C22 -10.8459 -2.9315 -12.0334 C.3 1 UNK -0.0089 29 C23 -11.6686 -3.9259 -12.5745 C.3 1 UNK -0.0398 30 C24 -13.0870 -6.4554 -13.5407 C.3 1 UNK 0.0161 31 N4 -14.1294 -7.3426 -13.6542 N.4 1 UNK 0.2680 32 C25 -14.9172 -7.1959 -12.5366 C.3 1 UNK 0.0137 33 O1 -6.6420 7.3327 2.2235 O.2 1 UNK -0.2265 34 C26 -6.2694 6.4684 1.4480 C.2 1 UNK 0.4006 35 N5 -5.7806 6.7802 0.2119 N.am 1 UNK -0.2696 36 O2 -6.3437 5.1336 1.6486 O.3 1 UNK -0.4537 37 C27 -16.4591 -8.0941 -10.7835 C.3 1 UNK -0.0218 38 C28 -15.4428 -9.1289 -10.3049 C.3 1 UNK -0.0350 39 C29 -15.3751 -10.1196 -11.4676 C.3 1 UNK 0.0155 40 N6 -15.9491 -9.4210 -12.6129 N.am 1 UNK -0.2861 41 C30 -16.1583 -8.0092 -12.2805 C.3 1 UNK 0.1132 42 C31 -3.6537 5.5290 -0.3169 C.3 1 UNK -0.0196 43 C32 -5.9866 4.6377 -1.1069 C.2 1 UNK 0.2369 44 C33 -5.1071 5.8749 -0.7372 C.3 1 UNK 0.1050 45 O3 -5.6296 3.4769 -0.9006 O.2 1 UNK -0.2735 46 N7 -7.1788 4.8723 -1.7616 N.am 1 UNK -0.2861 47 C34 -16.5176 -9.9330 -13.7545 C.2 1 UNK 0.2369 48 C35 -16.5222 -11.4600 -14.0981 C.3 1 UNK 0.1050 49 N8 -15.2408 -11.8770 -14.6830 N.am 1 UNK -0.2696 50 O4 -16.9902 -9.1617 -14.6037 O.2 1 UNK -0.2735 51 C36 -14.8279 -11.0600 -15.7091 C.2 1 UNK 0.4006 52 O5 -15.3292 -11.5137 -16.8818 O.3 1 UNK -0.4537 53 O6 -14.1921 -10.0253 -15.5502 O.2 1 UNK -0.2265 54 C37 -7.7147 6.1568 -2.1878 C.3 1 UNK 0.0155 55 C38 -8.1609 3.8038 -1.9029 C.3 1 UNK 0.1132 56 C39 -9.4834 4.5733 -1.9585 C.3 1 UNK -0.0218 57 C40 -9.1123 5.8509 -2.7064 C.3 1 UNK -0.0350 58 C41 -7.9147 3.0171 -3.1565 C.3 1 UNK 0.0137 59 C42 -7.0334 4.6865 2.8166 C.3 1 UNK 0.0833 60 C43 -15.3306 -10.5135 -17.9013 C.3 1 UNK 0.0833 61 C44 -17.0362 -12.4305 -13.0069 C.3 1 UNK -0.0196 62 C45 -18.3199 -11.9056 -12.3479 C.3 1 UNK -0.0605 63 C46 -17.3263 -13.8367 -13.5543 C.3 1 UNK -0.0605 64 C47 -2.9281 4.7223 -1.4074 C.3 1 UNK -0.0605 65 C48 -2.8441 6.8093 -0.0542 C.3 1 UNK -0.0605 66 H -9.2317 -0.6780 -11.1938 H 1 UNK 0.1189 67 H1 -9.3805 -1.4862 -10.4452 H 1 UNK 0.2067 68 H2 -8.0656 -0.9472 -9.9722 H 1 UNK 0.0382 69 H3 -7.1683 -2.3941 -8.5810 H 1 UNK 0.0271 70 H4 -6.3333 -0.9164 -9.2851 H 1 UNK 0.0271 71 H5 -5.4488 -3.3951 -8.8584 H 1 UNK 0.0265 72 H6 -4.7347 -1.8599 -9.5514 H 1 UNK 0.0265 73 H7 -4.3078 -2.8258 -11.1912 H 1 UNK 0.0265 74 H8 -5.2285 -4.2817 -10.5840 H 1 UNK 0.0265 75 H9 -5.6483 -2.6861 -12.6814 H 1 UNK 0.0265 76 H10 -6.4913 -4.1476 -11.9766 H 1 UNK 0.0265 77 H11 -7.3445 -1.6487 -12.3982 H 1 UNK 0.0271 78 H12 -8.0821 -3.1899 -11.7189 H 1 UNK 0.0271 79 H13 -15.0903 -5.5153 -11.6055 H 1 UNK 0.2078 80 H14 -14.2068 -6.6561 -10.8137 H 1 UNK 0.2078 81 H15 -12.5652 -5.0198 -12.1846 H 1 UNK 0.0908 82 H16 -12.1850 -5.7171 -12.1707 H 1 UNK 0.0357 83 H17 -13.4072 -4.3403 -10.0654 H 1 UNK 0.0274 84 H18 -11.9742 -5.4821 -10.0093 H 1 UNK 0.0274 85 H19 -12.2460 -2.7810 -8.0205 H 1 UNK 0.0324 86 H20 -10.9458 -3.9238 -7.8591 H 1 UNK 0.0324 87 H21 -12.2036 -4.3713 -9.4482 H 1 UNK 0.0357 88 H22 -10.4736 -1.9545 -7.4503 H 1 UNK 0.0856 89 H23 -10.0175 -2.0894 -7.0279 H 1 UNK 0.0381 90 H24 -11.1247 -1.2352 -6.0103 H 1 UNK 0.0271 91 H25 -9.5476 -2.1590 -5.8983 H 1 UNK 0.0271 92 H26 -10.3301 0.1331 -4.7576 H 1 UNK 0.0270 93 H27 -8.8011 -0.8820 -4.7304 H 1 UNK 0.0270 94 H28 -8.5318 1.0562 -5.6107 H 1 UNK 0.0908 95 H29 -7.0119 2.9957 -5.9444 H 1 UNK 0.0872 96 H30 -6.1403 1.7181 -5.2010 H 1 UNK 0.0872 97 H31 -6.7128 4.1473 -4.2293 H 1 UNK 0.2075 98 H32 -5.9680 2.8904 -3.4439 H 1 UNK 0.2075 99 H33 -8.7702 1.2993 -3.0358 H 1 UNK 0.2078 100 H34 -9.6547 2.4611 -3.7934 H 1 UNK 0.2078 101 H35 -8.3816 1.5932 -5.2185 H 1 UNK 0.0358 102 H36 -7.4805 0.8427 -7.3178 H 1 UNK 0.0295 103 H37 -9.0753 1.7416 -7.4142 H 1 UNK 0.0295 104 H38 -9.6643 -0.9976 -7.9878 H 1 UNK 0.0603 105 H39 -10.4968 -2.4758 -11.6184 H 1 UNK 0.0855 106 H40 -11.1810 -1.9955 -12.4291 H 1 UNK 0.0320 107 H41 -9.8569 -3.2345 -12.3073 H 1 UNK 0.0320 108 H42 -12.3531 -3.4276 -13.2287 H 1 UNK 0.0272 109 H43 -10.9582 -4.6068 -12.9948 H 1 UNK 0.0272 110 H44 -12.1529 -6.9772 -13.5298 H 1 UNK 0.0872 111 H45 -13.0576 -5.7743 -14.3654 H 1 UNK 0.0872 112 H46 -13.7715 -8.2964 -13.7058 H 1 UNK 0.2075 113 H47 -14.6677 -7.1597 -14.5011 H 1 UNK 0.2075 114 H48 -15.8728 -7.5931 -12.2647 H 1 UNK 0.1490 115 H49 -5.8902 7.7145 -0.0783 H 1 UNK 0.1528 116 H50 -16.3062 -7.1501 -10.3035 H 1 UNK 0.0288 117 H51 -17.4730 -8.3566 -10.5647 H 1 UNK 0.0288 118 H52 -15.7784 -9.6103 -9.4102 H 1 UNK 0.0281 119 H53 -14.4921 -8.7014 -10.0633 H 1 UNK 0.0281 120 H54 -15.9430 -10.9982 -11.2431 H 1 UNK 0.0465 121 H55 -14.3713 -10.4363 -11.6597 H 1 UNK 0.0465 122 H56 -16.9231 -7.5338 -12.8584 H 1 UNK 0.0619 123 H57 -3.7219 4.9428 0.5756 H 1 UNK 0.0318 124 H58 -4.9946 6.4164 -1.6532 H 1 UNK 0.0598 125 H59 -17.2879 -11.5514 -14.8398 H 1 UNK 0.0598 126 H60 -14.7308 -12.6598 -14.3727 H 1 UNK 0.1528 127 H61 -7.1098 6.5774 -2.9638 H 1 UNK 0.0465 128 H62 -7.7303 6.8694 -1.3898 H 1 UNK 0.0465 129 H63 -8.1343 3.0806 -1.1147 H 1 UNK 0.0619 130 H64 -10.2276 4.0192 -2.4914 H 1 UNK 0.0288 131 H65 -9.9014 4.7596 -0.9913 H 1 UNK 0.0288 132 H66 -9.1032 5.6887 -3.7640 H 1 UNK 0.0281 133 H67 -9.8058 6.6499 -2.5466 H 1 UNK 0.0281 134 H68 -8.1908 3.4578 -2.2214 H 1 UNK 0.1490 135 H69 -7.0177 3.6172 2.8527 H 1 UNK 0.0661 136 H70 -8.0471 5.0274 2.7846 H 1 UNK 0.0661 137 H71 -6.5521 5.0799 3.6875 H 1 UNK 0.0661 138 H72 -15.7352 -10.9238 -18.8029 H 1 UNK 0.0661 139 H73 -14.3284 -10.1830 -18.0781 H 1 UNK 0.0661 140 H74 -15.9293 -9.6844 -17.5867 H 1 UNK 0.0661 141 H75 -16.2469 -12.4916 -12.2870 H 1 UNK 0.0318 142 H76 -19.0992 -11.8501 -13.0791 H 1 UNK 0.0233 143 H77 -18.1404 -10.9315 -11.9432 H 1 UNK 0.0233 144 H78 -18.6146 -12.5695 -11.5622 H 1 UNK 0.0233 145 H79 -18.1151 -13.7831 -14.2752 H 1 UNK 0.0233 146 H80 -17.6208 -14.4786 -12.7505 H 1 UNK 0.0233 147 H81 -16.4450 -14.2276 -14.0184 H 1 UNK 0.0233 148 H82 -2.8603 5.3091 -2.2995 H 1 UNK 0.0233 149 H83 -3.4751 3.8255 -1.6111 H 1 UNK 0.0233 150 H84 -1.9442 4.4711 -1.0701 H 1 UNK 0.0233 151 H85 -2.7844 7.3846 -0.9544 H 1 UNK 0.0233 152 H86 -1.8578 6.5478 0.2680 H 1 UNK 0.0233 153 H87 -3.3266 7.3866 0.7067 H 1 UNK 0.0233 @BOND 1 19 24 1 2 24 25 1 3 18 19 1 4 17 18 1 5 17 26 1 6 16 17 1 7 25 26 1 8 3 26 1 9 1 3 1 10 1 2 1 11 2 16 1 12 2 27 1 13 14 16 1 14 14 15 1 15 13 15 1 16 15 27 1 17 12 13 1 18 12 29 1 19 28 29 1 20 27 28 1 21 4 5 1 22 5 6 1 23 4 9 1 24 8 9 1 25 7 8 1 26 6 7 1 27 20 21 1 28 21 22 1 29 20 23 1 30 23 58 1 31 22 58 1 32 11 30 1 33 30 31 1 34 10 11 1 35 10 32 1 36 31 32 1 37 37 38 1 38 37 41 1 39 38 39 1 40 39 40 1 41 40 41 1 42 46 54 1 43 46 55 1 44 54 57 1 45 56 57 1 46 55 56 1 47 12 11 1 48 32 41 1 49 40 47 am 50 48 47 1 51 48 61 1 52 61 63 1 53 61 62 1 54 48 49 1 55 49 51 am 56 51 52 1 57 52 60 1 58 51 53 2 59 47 50 2 60 24 20 1 61 43 46 am 62 43 45 2 63 43 44 1 64 44 42 1 65 42 65 1 66 42 64 1 67 44 35 1 68 34 35 am 69 34 36 1 70 36 59 1 71 33 34 2 72 1 4 1 73 55 58 1 74 1 66 1 75 2 67 1 76 4 68 1 77 5 69 1 78 5 70 1 79 6 71 1 80 6 72 1 81 7 73 1 82 7 74 1 83 8 75 1 84 8 76 1 85 9 77 1 86 9 78 1 87 10 79 1 88 10 80 1 89 11 81 1 90 12 82 1 91 13 83 1 92 13 84 1 93 14 85 1 94 14 86 1 95 15 87 1 96 16 88 1 97 17 89 1 98 18 90 1 99 18 91 1 100 19 92 1 101 19 93 1 102 20 94 1 103 21 95 1 104 21 96 1 105 22 97 1 106 22 98 1 107 23 99 1 108 23 100 1 109 24 101 1 110 25 102 1 111 25 103 1 112 26 104 1 113 27 105 1 114 28 106 1 115 28 107 1 116 29 108 1 117 29 109 1 118 30 110 1 119 30 111 1 120 31 112 1 121 31 113 1 122 32 114 1 123 35 115 1 124 37 116 1 125 37 117 1 126 38 118 1 127 38 119 1 128 39 120 1 129 39 121 1 130 41 122 1 131 42 123 1 132 44 124 1 133 48 125 1 134 49 126 1 135 54 127 1 136 54 128 1 137 55 129 1 138 56 130 1 139 56 131 1 140 57 132 1 141 57 133 1 142 58 134 1 143 59 135 1 144 59 136 1 145 59 137 1 146 60 138 1 147 60 139 1 148 60 140 1 149 61 141 1 150 62 142 1 151 62 143 1 152 62 144 1 153 63 145 1 154 63 146 1 155 63 147 1 156 64 148 1 157 64 149 1 158 64 150 1 159 65 151 1 160 65 152 1 161 65 153 1