RDKit 3D 101106 0 0 0 0 0 0 0 0999 V2000 -4.9097 0.9607 3.9166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4301 0.9989 2.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6362 2.1243 1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1821 2.1892 0.4429 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8062 3.5992 -0.0141 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9544 4.3025 -0.2832 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0813 3.2164 -1.3151 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1716 2.9961 -2.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3951 1.8749 -1.0139 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0044 2.0992 -1.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7763 1.5749 0.3723 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5996 0.2905 0.9789 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7518 -0.1701 1.8875 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6295 -1.0431 1.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8344 -1.2472 -0.2119 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4224 -0.9534 0.0942 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5744 -1.9425 0.7759 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1913 -3.2449 1.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7906 -3.5000 2.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0874 -4.2401 0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5084 -4.1132 -1.0840 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6086 -4.0063 -2.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2959 -2.6873 -2.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2285 -2.4086 -1.0215 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5895 -2.0637 -1.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5712 -3.5680 -0.3022 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4594 -3.0397 -1.1974 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9044 -3.6773 -1.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2681 -2.2670 0.0714 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5287 -1.1449 -0.2078 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8178 -0.9892 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2153 -1.9361 1.0154 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7049 0.1628 0.0433 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2318 1.4091 0.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1197 2.5529 0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0324 3.4797 -0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0634 4.3545 -0.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7766 3.9939 0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1857 2.8919 1.2523 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6876 2.2154 2.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9967 -0.1559 0.6643 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0044 -0.5422 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9351 -0.6878 -1.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 -0.8448 0.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4059 0.0366 0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6491 -0.1278 -1.1838 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7445 0.1845 -1.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9256 0.7526 -1.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8287 -0.0337 -3.1331 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4055 0.1120 4.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5259 1.8864 4.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0008 0.9273 3.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1296 2.9729 2.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8711 1.8215 -0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1177 4.0631 0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7572 5.1118 -0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3603 3.9883 -1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1384 3.4554 -2.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3910 1.8947 -2.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8869 3.3848 -3.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6427 1.2020 -1.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7658 3.0210 -0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1888 2.3394 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7018 0.2760 1.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3698 -0.7923 2.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 -1.9704 1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5796 -0.4570 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 -0.3562 -0.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8428 -0.5575 -0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2476 -1.5336 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0101 -5.1089 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3841 -4.7612 -1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2131 -4.3013 -3.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5928 -1.8114 -2.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7987 -2.6579 -3.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2729 -1.7559 -0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9058 -2.9661 -2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4328 -1.2126 -2.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4678 -3.4828 0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6464 -2.3584 -2.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6461 -2.8965 -1.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7686 -4.4013 -2.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2836 -4.2422 -0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -2.9930 0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 0.4230 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2105 1.7134 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1582 1.1858 1.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3151 3.5636 -1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6604 4.4877 1.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5930 1.6561 2.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 3.0126 3.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 1.5639 2.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6354 -1.2080 -1.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5263 -1.9142 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1344 -0.6515 1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3296 -0.2227 0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1329 1.0998 0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1177 0.2485 -0.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8378 0.6068 -1.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8135 1.8405 -0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4121 -0.8711 -3.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 7 5 1 0 5 6 1 0 5 4 1 0 4 3 1 0 3 2 2 0 2 1 1 0 2 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 12 1 0 12 11 1 0 11 9 1 0 9 10 1 0 16 17 1 0 17 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 33 41 1 0 41 42 2 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 47 49 1 0 29 27 1 0 27 28 1 0 27 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 1 21 20 1 0 20 18 1 0 18 19 2 0 9 7 1 0 18 17 1 0 11 4 1 0 39 35 1 0 12 13 1 0 24 15 1 0 8 58 1 0 8 59 1 0 8 60 1 0 7 57 1 6 5 55 1 1 6 56 1 0 4 54 1 6 3 53 1 0 1 50 1 0 1 51 1 0 1 52 1 0 13 65 1 1 14 66 1 0 14 67 1 0 15 68 1 6 16 69 1 6 12 64 1 1 11 63 1 1 9 61 1 6 10 62 1 0 17 70 1 1 29 84 1 1 33 85 1 6 34 86 1 0 34 87 1 0 36 88 1 0 38 89 1 0 40 90 1 0 40 91 1 0 40 92 1 0 43 93 1 0 44 94 1 0 44 95 1 0 45 96 1 0 45 97 1 0 48 98 1 0 48 99 1 0 48100 1 0 49101 1 0 27 80 1 6 28 81 1 0 28 82 1 0 28 83 1 0 21 71 1 6 22 72 1 0 22 73 1 0 23 74 1 0 23 75 1 0 25 76 1 0 25 77 1 0 25 78 1 0 26 79 1 0 M END