23830 Marvin 02230614453D HEPES charge=0 33 33 0 0 0 0 999 V2000 -4.2392 -2.4170 -1.3316 S 0 0 1 0 0 0 0 0 0 0 0 0 -3.0338 -1.8310 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4804 -2.8268 -2.6696 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0004 -3.6998 -0.7847 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3001 -1.2835 -1.6766 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3446 -0.5139 -0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1171 -0.0294 0.1365 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1468 -0.9693 0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0734 1.3383 0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3064 -0.4374 0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3501 1.9540 0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5465 1.0439 0.6299 N 0 3 2 0 0 0 0 0 0 0 0 0 2.6267 1.4741 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 0.8946 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 1.3554 -1.0573 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5357 -1.6873 0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3211 -2.6462 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0342 -0.6145 -1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1236 0.2536 -0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4348 -1.1494 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -1.9388 0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4192 1.2989 1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7608 2.0088 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8551 -0.8272 1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 -0.9253 -0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4711 2.6256 1.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3506 2.6105 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9666 1.2293 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3223 1.2258 -1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7484 2.5611 -0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3986 1.2025 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0394 -0.1950 -0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8051 0.9155 -0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 M CHG 2 5 -1 12 1 M END