@MOLECULE HT2LIG000780 26 26 1 SMALL USER_CHARGES @ATOM 1 C1 0.5465 -4.1838 1.2730 C.3 1 UNK 0.0000 2 N2 1.3917 -3.8579 0.1267 N.pl3 1 UNK 0.0000 3 C3 0.9526 -3.8165 -1.1557 C.2 1 UNK 0.0000 4 S4 -0.6127 -4.1428 -1.6493 S.2 1 UNK 0.0000 5 N5 1.9825 -3.4673 -1.9681 N.pl3 1 UNK 0.0000 6 N6 1.8731 -3.2582 -3.3076 N.2 1 UNK 0.0000 7 C7 2.9012 -2.9465 -4.0268 C.2 1 UNK 0.0000 8 C8 4.3066 -2.8253 -3.4639 C.3 1 UNK 0.0000 9 C9 2.7063 -2.6866 -5.4785 C.ar 1 UNK 0.0000 10 C10 1.4370 -2.8256 -6.0851 C.ar 1 UNK 0.0000 11 C11 1.2926 -2.5570 -7.4552 C.ar 1 UNK 0.0000 12 C12 2.4230 -2.1569 -8.1836 C.ar 1 UNK 0.0000 13 C13 3.6470 -2.0445 -7.5073 C.ar 1 UNK 0.0000 14 N14 3.7889 -2.3015 -6.1935 N.ar 1 UNK 0.0000 15 H15 -0.3043 -3.5034 1.3354 H 1 UNK 0.0000 16 H16 0.1666 -5.2034 1.1943 H 1 UNK 0.0000 17 H17 1.1126 -4.1018 2.2007 H 1 UNK 0.0000 18 H18 2.3551 -3.6409 0.3226 H 1 UNK 0.0000 19 H19 2.9011 -3.3160 -1.5865 H 1 UNK 0.0000 20 H20 4.9777 -3.5030 -3.9917 H 1 UNK 0.0000 21 H21 4.6850 -1.8144 -3.6148 H 1 UNK 0.0000 22 H22 4.3959 -3.0508 -2.4043 H 1 UNK 0.0000 23 H23 0.5754 -3.1329 -5.5076 H 1 UNK 0.0000 24 H24 0.3305 -2.6539 -7.9367 H 1 UNK 0.0000 25 H25 2.3549 -1.9388 -9.2390 H 1 UNK 0.0000 26 H26 4.5378 -1.7366 -8.0354 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 3 4 2 8 3 5 1 9 5 6 1 10 5 19 1 11 6 7 2 12 7 8 1 13 7 9 1 14 8 20 1 15 8 21 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