RDKit 3D 140145 0 0 0 0 0 0 0 0999 V2000 3.5649 3.4536 0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 2.2306 0.8705 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9496 1.5092 1.5994 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5934 0.3302 1.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7725 -0.6555 1.9705 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0982 0.1762 -0.2422 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5338 0.4167 -0.1915 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1370 1.4958 -0.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 2.2427 -1.5835 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5786 1.7373 -0.8364 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1346 2.6667 -1.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4588 2.9566 -1.6812 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2704 2.3125 -0.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6222 2.6237 -0.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4789 1.9873 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9577 1.0361 0.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6166 0.7460 0.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7541 1.3772 0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3881 1.0810 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8245 -1.2804 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5678 -1.3295 -1.2318 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9477 -2.3233 -1.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4317 -2.1105 -3.0177 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -3.6867 -1.3382 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1758 -4.3629 -1.6591 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2925 -5.7853 -1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7053 -4.1591 -3.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6823 -4.3888 -1.7502 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9034 -5.6120 -2.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3555 -4.0445 -1.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -4.0382 -2.5674 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3603 -3.6901 -0.2539 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2802 -4.0231 1.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3179 -2.5043 2.0674 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2448 -0.8782 1.1388 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0878 0.1876 0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2778 1.4514 1.0073 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5051 2.5039 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2466 2.4839 -1.0617 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4947 3.5148 0.0467 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2567 4.7097 -0.7825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 3.4536 0.8447 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0966 4.8165 1.4036 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9800 5.3575 2.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2720 4.5465 2.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8585 2.9450 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0151 3.4410 -1.0714 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7581 2.0255 0.5392 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5092 0.7730 1.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3236 -0.2297 0.2731 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5317 0.4137 -0.2044 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7842 -0.0609 0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8455 -1.0474 1.0073 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0310 0.5537 -0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1016 1.6879 -0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2694 2.2311 -1.3763 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4336 1.6680 -1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6438 2.2281 -1.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8392 1.6586 -1.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7983 0.5187 -0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6011 -0.0330 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4045 0.5298 -0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2234 -0.0423 0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4295 -0.6219 -0.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5866 0.0021 -1.9666 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4343 -1.6264 -0.7795 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5598 -2.8223 -0.0110 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1082 -2.5175 1.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8829 -3.9872 -0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5552 -4.6343 -1.4726 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -4.4964 -0.3052 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4197 -5.9187 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 1.9111 2.0191 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 1.6216 3.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8423 2.5819 1.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 3.6079 2.5749 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8634 4.3170 0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4923 3.6885 0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8934 3.1995 -0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5766 1.5889 0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2342 1.8961 2.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6088 0.9032 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0815 -0.2652 0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5100 3.2002 -2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9925 3.3667 -1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5428 2.2085 0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6686 0.5652 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2614 0.0082 1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9879 0.3445 0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 -1.5561 -1.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8336 -1.8708 0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 -3.5924 -0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9392 -3.8138 -0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2977 -6.5521 -1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2903 -5.9425 -0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5618 -5.9489 -0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6706 -3.5603 -3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0455 -3.6065 -3.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0419 -5.1477 -3.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 -6.5147 -1.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9863 -5.8003 -3.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7024 -5.5046 -3.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6174 -2.6153 -0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -4.5529 1.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -4.7173 1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3999 0.3963 -0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8665 -0.3792 0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2883 1.3011 1.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6973 4.4641 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 4.8996 -0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7034 5.6135 -0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5624 2.8116 1.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4141 5.5224 0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0745 4.8572 3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9826 5.1532 1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 6.4667 2.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9591 3.7797 3.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1584 4.2630 1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4901 5.4757 2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4534 0.4763 0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8366 0.7089 2.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5901 -1.0555 0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4918 1.2223 -0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1779 2.1663 -1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6582 3.1244 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7918 2.1039 -1.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7501 0.0618 0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5616 -0.9352 0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2073 -0.9363 0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -1.4537 -1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6693 -3.0334 0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5758 -3.4181 1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 -1.6369 1.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9573 -2.3517 2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -6.1762 1.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0713 -6.4990 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3837 -6.2470 -0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8821 1.9981 4.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8128 2.1040 3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0664 0.5341 3.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 6 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 24 28 1 0 28 29 1 0 28 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 42 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 54 55 2 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 2 0 50 64 1 0 64 65 2 0 64 66 1 0 66 67 1 0 67 68 1 0 67 69 1 0 69 70 2 0 69 71 1 0 71 72 1 0 37 73 1 0 73 74 1 0 73 75 1 0 75 76 2 0 75 2 1 0 19 10 1 0 71 32 1 0 18 13 1 0 63 54 1 0 62 57 1 0 1 77 1 0 1 78 1 0 1 79 1 0 2 80 1 6 3 81 1 0 6 82 1 6 7 83 1 0 11 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 24 92 1 1 25 93 1 1 26 94 1 0 26 95 1 0 26 96 1 0 27 97 1 0 27 98 1 0 27 99 1 0 29100 1 0 29101 1 0 29102 1 0 32103 1 1 33104 1 0 33105 1 0 36106 1 0 36107 1 0 37108 1 1 41109 1 0 41110 1 0 41111 1 0 42112 1 1 43113 1 6 44114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 45119 1 0 49120 1 0 49121 1 0 50122 1 1 51123 1 0 55124 1 0 58125 1 0 59126 1 0 60127 1 0 61128 1 0 63129 1 0 66130 1 0 67131 1 1 68132 1 0 68133 1 0 68134 1 0 72135 1 0 72136 1 0 72137 1 0 74138 1 0 74139 1 0 74140 1 0 M END