RDKit 3D 81 85 0 0 0 0 0 0 0 0999 V2000 -3.7195 2.7268 2.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1591 1.3830 2.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6275 0.7573 2.9717 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1946 0.8077 0.7737 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 -0.4681 0.5413 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6033 -0.2995 -0.5833 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8876 0.8374 -0.2116 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0406 2.0612 -0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 2.0155 -1.8547 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 3.2860 -0.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 4.3915 -1.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0176 5.6163 -1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8443 5.7679 -0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0965 4.6960 0.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4966 3.4595 0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9001 -1.5512 -0.8866 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7656 -1.6511 -2.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4954 -1.5634 -0.3451 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3671 -0.5785 -0.8182 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 0.2555 0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7761 0.0932 1.3065 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 1.2958 -0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5329 2.0408 0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4676 3.0883 0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0577 3.8459 1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 4.8556 0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3177 5.1764 -0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7481 4.4429 -1.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8347 3.4116 -1.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1558 -2.9094 -0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3051 -4.0895 -0.4928 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0888 -3.9920 -1.0478 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2658 -4.0601 -2.3624 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5469 -2.7893 -0.2859 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0062 -3.0451 0.9986 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1551 -4.0846 0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7491 -5.4617 1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0527 -4.0068 1.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -2.7458 -0.1299 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7513 -3.5781 -1.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4442 -3.3284 1.0944 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6698 -1.4052 -0.1194 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0043 -0.9384 -1.3838 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 3.1102 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5041 2.6993 3.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9216 3.4560 2.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2091 -0.9408 1.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2779 -0.0505 -1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2695 4.3013 -2.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2224 6.4684 -1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3298 6.7060 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 4.8190 1.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 2.6049 1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7286 -1.8495 -2.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0898 -2.2238 -2.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5245 -0.5880 -2.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4028 -1.4468 0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 1.4608 -1.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 1.8875 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7993 3.6288 2.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3669 5.3984 1.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0175 5.9673 -0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 4.6623 -2.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4277 2.8788 -1.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6794 -2.8021 -1.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9945 -2.9721 0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8254 -5.0054 -0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6437 -4.8661 -0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6169 -4.9110 -2.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -6.1929 0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -5.4922 1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -5.9530 2.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8678 -4.6266 2.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3648 -3.0424 2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9249 -4.5427 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5513 -3.2370 -2.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8442 -3.3790 -0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6228 -4.6593 -1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1359 -2.8152 1.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5735 -1.3441 0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0012 -0.8741 -1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 42 1 0 42 43 1 0 42 39 1 0 39 40 1 0 39 41 1 1 39 34 1 0 34 35 1 1 35 36 1 0 36 37 1 0 36 38 1 0 36 31 1 0 31 30 1 0 30 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 18 16 1 0 16 17 1 6 16 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 31 32 1 0 32 33 1 0 6 5 1 0 15 10 1 0 16 34 1 0 32 34 1 0 29 24 1 0 1 44 1 0 1 45 1 0 1 46 1 0 5 47 1 1 42 80 1 1 43 81 1 0 40 76 1 0 40 77 1 0 40 78 1 0 41 79 1 0 37 70 1 0 37 71 1 0 37 72 1 0 38 73 1 0 38 74 1 0 38 75 1 0 31 67 1 6 30 65 1 0 30 66 1 0 18 57 1 1 22 58 1 0 23 59 1 0 25 60 1 0 26 61 1 0 27 62 1 0 28 63 1 0 29 64 1 0 17 54 1 0 17 55 1 0 17 56 1 0 6 48 1 6 11 49 1 0 12 50 1 0 13 51 1 0 14 52 1 0 15 53 1 0 32 68 1 1 33 69 1 0 M END