RDKit 3D 85 90 0 0 0 0 0 0 0 0999 V2000 -7.1779 0.7864 3.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3630 1.7825 2.6397 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1978 1.5030 1.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8467 0.1595 1.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6805 -0.1150 1.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9435 0.8995 0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2756 2.2365 0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 3.2530 0.1555 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6626 3.8238 -1.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4464 2.5295 1.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8842 3.8318 1.5773 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8716 0.4505 -0.3678 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6307 -0.1566 -1.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2942 -1.3589 -2.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 -1.9125 -3.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1224 -1.2533 -3.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8310 -1.8397 -4.7032 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4843 -0.0533 -3.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7421 0.4742 -2.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -0.5994 0.2819 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2602 0.0291 1.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9527 0.8141 2.1313 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9908 -0.2824 1.6053 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9038 -0.9710 2.3348 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5894 -2.4094 2.6251 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1215 -2.7954 3.8642 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -3.1078 1.4656 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0966 -3.4252 0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0973 -3.4826 1.1453 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3555 -3.0893 0.8977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2678 -3.9697 0.7085 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8718 -1.6966 0.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1196 -1.4541 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0795 -2.2342 0.8531 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 -1.0702 1.5585 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3338 -1.0998 2.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4014 0.1169 3.2265 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2225 0.0024 0.6916 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2611 -0.0058 -0.2125 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7214 -0.2057 -1.4799 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4664 0.9194 -2.2047 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0041 0.4202 -3.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0477 -0.3383 -4.1111 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6386 1.8233 -2.4584 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2194 3.1482 -2.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7090 1.5245 -1.4412 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4120 0.3631 -1.7257 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9828 1.2990 -0.1143 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0251 2.3017 0.0347 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6520 0.1795 2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5530 0.0794 3.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9063 1.2990 3.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4320 -0.6450 2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 3.2527 -1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3812 4.9047 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7358 3.7941 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4247 4.6407 1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2811 1.3277 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4307 -1.9146 -1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7408 -2.8714 -3.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5919 -2.4597 -4.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3536 0.4832 -3.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0712 1.4210 -1.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2874 -0.9165 -0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 -0.5189 3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5024 -2.6013 2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7347 -2.1345 4.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7108 -4.0518 1.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1583 -2.7982 -0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3275 -4.4743 0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7328 -2.2825 1.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1927 -1.9705 3.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3257 -1.2365 2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2132 -0.1153 4.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9311 -0.9041 -0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5769 1.4923 -1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1379 -0.2760 -3.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7887 1.2386 -4.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6484 0.1342 -4.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0357 1.7314 -3.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8605 3.6692 -1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4399 2.3553 -1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3139 0.4499 -1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7561 1.3424 0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1544 2.8099 0.8803 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 4 5 1 0 5 6 2 0 6 12 1 0 12 20 1 0 20 32 1 0 32 33 2 0 32 30 1 0 30 31 2 0 30 29 1 0 29 28 1 0 28 27 1 0 27 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 35 38 1 6 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 41 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 35 24 1 0 24 23 1 0 23 21 1 0 21 22 2 0 24 25 1 0 25 26 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 2 0 10 11 1 0 10 3 1 0 33 5 1 0 25 27 1 0 19 13 1 0 21 20 1 0 48 39 1 0 1 50 1 0 1 51 1 0 1 52 1 0 4 53 1 0 12 58 1 6 20 64 1 6 33 71 1 0 28 69 1 0 28 70 1 0 27 68 1 1 36 72 1 0 36 73 1 0 37 74 1 0 39 75 1 1 41 76 1 1 42 77 1 0 42 78 1 0 43 79 1 0 44 80 1 6 45 81 1 0 46 82 1 1 47 83 1 0 48 84 1 1 49 85 1 0 24 65 1 1 25 66 1 1 26 67 1 0 14 59 1 0 15 60 1 0 17 61 1 0 18 62 1 0 19 63 1 0 9 54 1 0 9 55 1 0 9 56 1 0 11 57 1 0 M END