1130 Marvin 04260611053D Thiamin charge=1 35 36 0 0 0 0 999 V2000 -1.5817 -2.8170 1.6023 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5251 -4.8171 -0.0613 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7223 3.9377 0.6464 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7807 -0.3277 1.5344 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8163 3.4443 -1.5605 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8773 1.2619 -2.3765 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5052 -3.8255 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0934 -3.5315 1.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 1.1067 1.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8805 3.0654 -4.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7166 -0.4343 1.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8588 2.5940 -2.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 3.0066 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1064 -2.4318 1.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3674 -1.0520 1.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8414 1.6198 0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8737 -1.1163 1.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8694 0.7672 -1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7264 -4.9397 -1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8079 4.8391 0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5742 3.7072 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6494 -4.1928 -0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8886 -2.9287 -0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -4.4459 1.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9744 -3.2966 2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8105 1.4699 1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0922 1.5762 2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 2.6990 -4.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7709 2.6856 -4.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8903 4.1548 -4.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7834 0.2108 0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8904 0.1681 2.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 -1.1458 1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -0.7620 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8916 -0.2497 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 13 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 4 17 2 0 0 0 0 5 12 1 0 0 0 0 5 13 2 0 0 0 0 6 12 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 14 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 16 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 18 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 M CHG 1 4 1 M END