RDKit 3D 46 50 0 0 0 0 0 0 0 0999 V2000 -4.7390 1.9051 -0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6938 1.7354 0.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8712 0.6738 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0353 -0.2964 -0.5478 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0439 -0.2056 -1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2715 -1.0351 -2.3908 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9158 0.9976 -1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 -1.5028 -0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1888 -1.7234 0.5715 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6833 -0.9909 1.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7511 0.4871 1.4364 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4343 0.9990 0.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6303 -0.0075 0.9085 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3124 -1.3512 0.3167 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8211 -1.4376 -1.1154 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3366 -1.2436 -1.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7827 -0.0834 -0.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 0.4748 0.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4297 1.5266 1.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 2.0281 1.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5499 1.4650 0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0904 0.4088 -0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9108 1.9805 0.1569 N 0 0 0 0 0 4 0 0 0 0 0 0 6.6327 1.4371 -0.6917 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2658 2.9374 0.8633 O 0 0 0 0 0 1 0 0 0 0 0 0 0.6566 -2.8098 -1.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8511 -2.8265 -3.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3399 -3.7596 -1.0042 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.3712 2.7834 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5843 2.4992 1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6850 1.0802 -2.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8896 -2.3490 -0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -1.5408 -1.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2036 -2.8000 0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6655 -1.3682 2.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0032 -1.1493 2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9607 1.0635 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5606 1.2803 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1711 1.9259 1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8855 -2.0652 0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3488 -0.6659 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 -1.0702 -2.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8551 -2.1422 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8134 1.9448 2.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0641 2.8385 1.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7287 -0.0477 -1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 4 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 23 25 1 0 15 26 1 0 26 27 2 0 26 28 1 0 7 1 2 0 11 3 1 0 14 9 1 0 18 13 1 0 22 17 1 0 1 29 1 0 2 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 1 10 35 1 0 10 36 1 0 11 37 1 1 12 38 1 0 12 39 1 0 14 40 1 1 15 41 1 6 16 42 1 0 16 43 1 0 19 44 1 0 20 45 1 0 22 46 1 0 M CHG 3 23 1 25 -1 28 -1 M END