-ISIS- 08270809333D corrected by NH (charge at N) 25 27 0 0 0 0 0 0 0 0999 V2000 0.2329 3.4297 -1.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0689 2.7819 -1.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0871 1.3578 -0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1966 0.5844 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 1.2363 -0.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5166 2.6604 -1.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7822 0.4628 -0.7691 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0841 1.1147 -1.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1023 2.5388 -1.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8185 3.3081 -1.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3679 0.3412 -1.0315 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1789 -0.8395 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3866 0.7058 -0.2445 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1235 -1.4929 0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4616 -1.6166 0.0869 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1135 -4.2245 0.7266 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0953 -5.6498 1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3790 -6.4233 1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6766 -5.7670 0.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6947 -4.3500 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4153 -3.5809 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4438 -3.0398 0.5644 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7276 -3.8133 0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7094 -5.2387 1.1546 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0339 -3.1616 0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 6 10 1 0 0 0 0 8 11 2 0 0 0 0 4 12 1 0 0 0 0 3 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 25 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 16 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 16 1 M END