RDKit 3D 111116 0 0 0 0 0 0 0 0999 V2000 -8.3649 5.1999 2.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7101 4.3588 1.2136 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3399 3.0735 1.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6033 2.7143 2.7904 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6604 2.1811 0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1725 2.0666 0.8586 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6387 3.5017 0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8752 1.5740 2.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9566 0.4189 2.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8930 0.2222 0.5123 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5391 1.3101 -0.0684 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4589 0.3333 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8332 1.6343 -0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4325 1.4511 -0.4847 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3545 2.5020 -0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2551 3.6227 -1.0075 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7735 2.5027 -1.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6032 1.5359 -0.3638 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3630 2.0029 1.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1061 0.1649 -0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2778 -0.6321 -1.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4297 0.3408 -0.9889 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9207 1.6083 -0.7031 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9076 0.3784 -2.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4276 1.4531 -3.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7608 -0.5407 -2.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1999 -1.5669 -1.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6453 -0.6794 -0.6314 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6600 -1.2970 0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3465 -2.6411 0.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9204 -1.4840 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0314 -0.2794 1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5406 1.1017 0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 1.1958 0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 -0.0322 0.0129 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8604 -0.8778 1.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6757 -0.7180 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3123 -2.0370 0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5305 -2.0675 -0.3192 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0633 -3.4228 -0.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1616 -4.3266 0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0132 -4.1042 -1.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3936 -3.4117 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9624 -2.1175 -1.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3765 -0.8595 -1.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5474 -1.0603 0.0887 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5336 -1.5663 1.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4432 4.9424 2.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9358 5.0481 3.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2283 6.2384 1.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8228 2.5335 -0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1745 1.2053 0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8237 3.5978 1.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4228 4.2376 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1508 3.6222 -0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7763 1.3181 2.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3902 2.4010 2.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9739 0.6940 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2684 -0.4924 2.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2901 1.9435 -1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9697 2.4290 0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8795 2.1487 -2.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2289 3.5259 -1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4033 1.5778 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1932 1.7548 1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2171 3.1196 1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2562 0.1093 -1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6581 -0.2277 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3884 -1.5113 -0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0398 -1.0115 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4515 1.1817 -3.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1683 1.6650 -4.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3013 2.3627 -2.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1263 -0.5527 -3.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0974 -2.1085 -2.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4145 -2.2665 -1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2081 0.1740 -1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9649 -2.6245 1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7131 -3.2604 0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2961 -3.2534 0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9804 -0.7026 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9316 -2.4607 -1.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8251 -1.3494 0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1558 -0.1642 1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7574 -0.5850 2.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1383 1.4761 0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7976 1.7501 1.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8503 2.0673 0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5314 1.3780 1.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3935 -0.7197 2.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8802 -1.9495 0.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8485 -0.4708 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6303 -0.6949 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6765 -2.8902 0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5473 -1.9696 1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1381 -1.6989 -1.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2151 -4.4304 0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 -5.3660 0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5462 -3.9955 1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4243 -4.0088 -2.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0596 -3.5608 -1.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9185 -5.1731 -1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1408 -4.0545 -0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2784 -4.0290 -2.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0419 -2.0091 -2.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0513 -2.1106 -1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1355 -0.0799 -1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 -0.4372 -1.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0247 -0.6780 1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0920 -2.2211 1.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3805 -2.1101 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 6 5 1 6 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 6 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 18 17 1 6 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 1 22 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 1 12 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 40 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 1 11 6 1 0 23 18 1 0 35 28 1 0 46 39 1 0 46 10 1 0 35 22 1 0 1 48 1 0 1 49 1 0 1 50 1 0 5 51 1 0 5 52 1 0 7 53 1 0 7 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 9 59 1 0 13 60 1 0 13 61 1 0 17 62 1 0 17 63 1 0 19 64 1 0 19 65 1 0 19 66 1 0 20 67 1 0 20 68 1 0 21 69 1 0 21 70 1 0 25 71 1 0 25 72 1 0 25 73 1 0 26 74 1 0 27 75 1 0 27 76 1 0 28 77 1 6 30 78 1 0 30 79 1 0 30 80 1 0 31 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 36 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 6 41 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 44105 1 0 44106 1 0 45107 1 0 45108 1 0 47109 1 0 47110 1 0 47111 1 0 M END