-ISIS- 01270511192D 51 53 0 0 0 0 0 0 0 0999 V2000 9.9858 -3.5138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4939 -2.6207 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7348 -4.2948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3230 -3.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3672 -2.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9590 -1.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9072 -4.2948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3520 -5.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6561 -3.5138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3672 -1.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1620 -2.7944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4939 -1.1332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3544 -5.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8464 -3.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1620 -0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9529 -2.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4256 -5.6027 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.8464 -2.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9529 -1.4210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1531 0.0278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4521 -5.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4256 -4.1311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4256 -6.9374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 -2.3340 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.6662 -2.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 -0.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 -3.8651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7473 -2.3340 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.7917 -2.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7473 -0.8961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7473 -3.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9462 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9462 -0.8961 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9462 0.0278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0452 -0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9058 -0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9462 0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8463 0.0278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 1.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 1.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1022 1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4862 1.7296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1022 0.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2454 1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6979 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4292 1.2017 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4292 0.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0465 -0.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0452 0.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 6 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 12 2 0 0 0 0 7 9 1 0 0 0 0 7 13 1 6 0 0 0 9 14 1 1 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 2 0 0 0 0 18 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 2 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 34 37 1 0 0 0 0 34 38 1 1 0 0 0 34 51 1 1 0 0 0 37 39 1 0 0 0 0 37 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 M END