@MOLECULE HT2LIG000784 26 26 1 SMALL USER_CHARGES @ATOM 1 C1 3.4050 -4.7740 0.2828 C.3 1 UNK 0.0000 2 C2 2.5457 -4.5899 -0.9724 C.3 1 UNK 0.0000 3 N3 3.3637 -4.1792 -2.1121 N.pl3 1 UNK 0.0000 4 C4 2.8753 -3.9438 -3.3564 C.2 1 UNK 0.0000 5 S5 1.2617 -4.0400 -3.7876 S.2 1 UNK 0.0000 6 N6 3.9034 -3.6283 -4.1861 N.pl3 1 UNK 0.0000 7 N7 3.7751 -3.4011 -5.5216 N.2 1 UNK 0.0000 8 C8 4.8391 -3.1487 -6.2005 C.2 1 UNK 0.0000 9 C9 4.8229 -2.9156 -7.6590 C.ar 1 UNK 0.0000 10 C10 6.0394 -2.6548 -8.3234 C.ar 1 UNK 0.0000 11 C11 6.0250 -2.4460 -9.7137 C.ar 1 UNK 0.0000 12 C12 4.7984 -2.5043 -10.3926 C.ar 1 UNK 0.0000 13 C13 3.6354 -2.7673 -9.6517 C.ar 1 UNK 0.0000 14 N14 3.6475 -2.9674 -8.3226 N.ar 1 UNK 0.0000 15 H15 4.1751 -5.5317 0.1347 H 1 UNK 0.0000 16 H16 3.8920 -3.8432 0.5754 H 1 UNK 0.0000 17 H17 2.7869 -5.0968 1.1212 H 1 UNK 0.0000 18 H18 2.0353 -5.5255 -1.2092 H 1 UNK 0.0000 19 H19 1.7729 -3.8418 -0.7853 H 1 UNK 0.0000 20 H20 4.3524 -4.0906 -1.9498 H 1 UNK 0.0000 21 H21 4.8418 -3.5836 -3.8259 H 1 UNK 0.0000 22 H22 5.8061 -3.1040 -5.6982 H 1 UNK 0.0000 23 H23 6.9740 -2.6164 -7.7835 H 1 UNK 0.0000 24 H24 6.9413 -2.2465 -10.2504 H 1 UNK 0.0000 25 H25 4.7437 -2.3515 -11.4601 H 1 UNK 0.0000 26 H26 2.6731 -2.8201 -10.1386 H 1 UNK 0.0000 @BOND 1 1 2 1 2 1 15 1 3 1 16 1 4 1 17 1 5 2 3 1 6 2 18 1 7 2 19 1 8 3 4 1 9 3 20 1 10 4 5 2 11 4 6 1 12 6 7 1 13 6 21 1 14 7 8 2 15 8 9 1 16 8 22 1 17 9 14 ar 18 9 10 ar 19 10 11 ar 20 10 23 1 21 11 12 ar 22 11 24 1 23 12 13 ar 24 12 25 1 25 13 14 ar 26 13 26 1 @SUBSTRUCTURE 1 UNK 1 GROUP 0 **** 0 ROOT