RDKit 3D 100100 0 0 0 0 0 0 0 0999 V2000 10.7077 -0.5364 1.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2063 -0.7334 1.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6632 0.5735 0.9916 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1655 0.4432 0.7352 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7267 1.8178 0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4573 0.1258 1.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6705 -0.8823 2.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1005 -0.8893 3.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2802 -1.9705 1.3757 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1376 -2.1909 0.3193 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8571 -1.9096 0.8880 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8207 -1.9612 1.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6873 -0.6965 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7221 0.1519 0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 1.3694 -0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1565 1.3573 -1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9714 0.1787 -2.1269 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9919 0.2298 -3.1117 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3438 0.0110 -2.7953 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2088 -1.3143 -3.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5943 0.0643 -2.0341 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6262 -0.8470 -0.9825 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4225 1.2693 -1.9487 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8572 2.5265 -1.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7281 1.0525 -1.1901 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4191 0.6645 0.0926 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6607 0.0865 -1.8163 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0873 0.4643 -3.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9660 0.1481 -1.0037 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6820 -0.2002 0.2852 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7847 -0.4687 1.0741 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4665 -0.1254 2.4976 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1085 1.3241 2.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3122 -0.9470 2.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7262 -1.7750 2.2197 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 -0.8052 4.2547 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0287 0.1947 0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3262 -0.3964 -0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0431 -0.6976 -1.5895 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7860 -2.1672 -1.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1503 -1.4673 2.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1464 -0.2871 0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8178 0.3174 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6963 -0.9663 2.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1101 -1.5251 0.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1966 0.7730 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8412 1.3817 1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9574 -0.2808 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3319 1.9912 -0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6603 1.8218 -0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9991 2.5770 0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 0.8488 2.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4281 -0.0451 3.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6121 -1.8330 3.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0093 -0.7702 4.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2884 -2.9283 2.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 -3.0649 -0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7141 -2.8435 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8213 -2.0553 1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7452 -1.1028 2.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9609 -2.8805 2.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3668 -0.4992 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0324 -0.0153 1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3396 1.4192 -1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5226 2.2371 0.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9809 2.2898 -1.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4602 1.2632 -0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -0.7657 -1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 0.8133 -3.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3752 0.7745 -3.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3806 -2.1729 -2.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0273 -1.2716 -4.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7473 -1.3099 -4.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3156 -0.5953 -2.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -0.5770 -0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 1.5829 -3.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7561 3.2356 -1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1656 3.0705 -2.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5274 2.4370 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2191 2.0644 -1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4295 -0.3036 0.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2241 -0.9069 -1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4998 -0.4951 -3.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2738 0.7400 -3.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9147 1.1663 -3.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2934 1.2107 -1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9546 -1.5747 1.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3035 -0.3573 3.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7332 1.9924 2.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0241 1.4238 2.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3005 1.5896 3.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4633 -1.1356 4.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8546 -0.0365 1.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9319 1.3005 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9098 -1.3164 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9832 0.3000 -1.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2419 -0.3848 -2.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8699 -2.4381 -0.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6931 -2.5710 -2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6244 -2.7335 -1.0215 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 1 0 4 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 36 1 0 34 35 2 0 39 29 1 0 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 2 45 1 0 3 46 1 0 3 47 1 0 4 48 1 6 5 49 1 0 5 50 1 0 5 51 1 0 6 52 1 0 8 53 1 0 8 54 1 0 8 55 1 0 9 56 1 1 10 57 1 0 11 58 1 6 12 59 1 0 12 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 16 67 1 0 17 68 1 1 18 69 1 0 19 70 1 6 20 71 1 0 20 72 1 0 20 73 1 0 21 74 1 6 22 75 1 0 23 76 1 6 24 77 1 0 24 78 1 0 24 79 1 0 25 80 1 1 26 81 1 0 27 82 1 6 28 83 1 0 28 84 1 0 28 85 1 0 29 86 1 1 31 87 1 1 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 6 40 98 1 0 40 99 1 0 40100 1 0 32 88 1 1 33 89 1 0 33 90 1 0 33 91 1 0 36 92 1 0 M END