@MOLECULE **** 20 19 1 0 0 SMALL USER_CHARGES @ATOM 1 C -0.1426 -0.5426 1.5546 C.3 1 **** 0.0000 2 C 0.2442 -0.8087 0.1057 C.3 1 **** 0.0000 3 C 0.3859 0.5150 -0.6340 C.3 1 **** 0.0000 4 O -0.5212 0.5536 -1.7022 O.3 1 **** 0.0000 5 N -0.5912 1.8441 -2.6623 N.3 1 **** 1.0000 6 O -1.4410 1.8739 -3.6588 O.2 1 **** 0.0000 7 O 0.2018 2.8644 -2.4470 O.2 1 **** -1.0000 8 O 1.4648 -1.4976 0.0676 O.3 1 **** 0.0000 9 N 2.1191 -1.9131 -1.3435 N.3 1 **** 1.0000 10 O 3.2598 -2.5567 -1.3724 O.2 1 **** 0.0000 11 O 1.5109 -1.6077 -2.4629 O.2 1 **** -1.0000 12 O -1.3626 0.1470 1.5942 O.3 1 **** 0.0000 13 N -2.0156 0.5620 3.0060 N.3 1 **** 1.0000 14 O -3.1559 1.2063 3.0362 O.2 1 **** 0.0000 15 O -1.4067 0.2555 4.1247 O.2 1 **** -1.0000 16 H -0.2465 -1.5106 2.0940 H 1 **** 0.0000 17 H 0.6468 0.0720 2.0423 H 1 **** 0.0000 18 H -0.5451 -1.4234 -0.3819 H 1 **** 0.0000 19 H 0.1715 1.3545 0.0646 H 1 **** 0.0000 20 H 1.4235 0.6122 -1.0248 H 1 **** 0.0000 @BOND 1 1 2 1 2 1 12 1 3 1 16 1 4 1 17 1 5 2 3 1 6 2 8 1 7 2 18 1 8 3 4 1 9 3 19 1 10 3 20 1 11 4 5 1 12 5 6 2 13 5 7 1 14 8 9 1 15 9 10 2 16 9 11 1 17 12 13 1 18 13 14 2 19 13 15 1