HMDB0252908 RDKit 3D Golotimod 43 44 0 0 0 0 0 0 0 0999 V2000 -6.0112 -0.6844 -0.6104 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6023 -0.2039 -0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0985 -0.5135 0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6934 -0.0962 1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7885 -0.7978 0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2056 -1.6957 -0.6585 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4215 -0.4495 0.0323 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -1.1239 -0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5622 -1.7748 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 -0.8386 0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.6066 2.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 0.3170 2.7525 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6408 0.7224 1.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6661 1.6384 1.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4359 1.8319 0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1765 1.1297 -0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1428 0.2213 -0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3528 0.0014 0.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0435 -0.1788 -1.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 1.0521 -1.8519 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8678 -0.6217 -2.8851 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5847 1.2562 -0.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6609 1.8873 -0.8383 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3978 1.9291 -0.9386 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9487 -1.7253 -0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3952 -0.4000 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0937 -0.7332 -1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7959 -0.0127 1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2319 -1.6268 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5339 1.0063 0.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4467 -0.3739 2.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0646 0.3000 0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0812 -1.9069 -1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 -2.2076 -0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -2.6154 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1068 -1.1026 2.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7119 0.6986 3.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8988 2.2050 2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2422 2.5300 0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7879 1.2824 -1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9638 -0.3233 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8899 -0.2150 -3.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1537 2.8188 -0.5367 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 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 8 19 1 0 19 20 2 0 19 21 1 0 2 22 1 0 22 23 2 0 22 24 1 0 18 10 1 0 18 13 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 7 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 11 36 1 0 12 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 21 42 1 0 24 43 1 0 M END