@MOLECULE FDBD00495 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 P 1.0104 -1.5705 0.2987 P.3 1 UNK 0.3710 2 P1 0.9551 1.5850 0.3049 P.3 1 UNK 0.3710 3 O 1.2794 0.0281 -1.6634 O.3 1 UNK -0.3671 4 O1 2.5896 -1.3640 0.5695 O.3 1 UNK -0.3217 5 O2 0.9651 -2.6403 -0.9106 O.3 1 UNK -0.3217 6 O3 2.5402 1.4347 0.5772 O.3 1 UNK -0.3217 7 O4 0.8725 2.6553 -0.9024 O.3 1 UNK -0.3217 8 O5 0.2046 -1.9604 1.5032 O.2 1 UNK -0.2551 9 O6 0.1339 1.9439 1.5088 O.2 1 UNK -0.2551 10 N -4.4802 -0.0435 0.5546 N.4 1 UNK 0.2185 11 C 0.4630 -0.0014 -0.4812 C.3 1 UNK 0.2672 12 C1 -0.9982 -0.0215 -0.9779 C.3 1 UNK 0.0039 13 C2 -2.0664 -0.0543 0.1135 C.3 1 UNK -0.0089 14 C3 -3.4691 0.0089 -0.4949 C.3 1 UNK -0.0353 15 H 2.2155 0.0418 -1.4096 H 1 UNK 0.2117 16 H1 2.9533 -2.1614 0.9852 H 1 UNK 0.2198 17 H2 1.2433 -3.5101 -0.5834 H 1 UNK 0.2198 18 H3 2.8745 2.2434 0.9957 H 1 UNK 0.2198 19 H4 1.1196 3.5337 -0.5733 H 1 UNK 0.2198 20 H5 -5.4087 -0.0005 0.1346 H 1 UNK 0.1994 21 H6 -4.3558 0.7476 1.1863 H 1 UNK 0.1994 22 H7 -4.3833 -0.9142 1.0769 H 1 UNK 0.1994 23 H8 -1.1259 -0.8900 -1.5896 H 1 UNK 0.0307 24 H9 -1.1422 0.9010 -1.5005 H 1 UNK 0.0307 25 H10 -1.9285 0.7838 0.7643 H 1 UNK 0.0318 26 H11 -1.9707 -0.9699 0.6588 H 1 UNK 0.0318 27 H12 -3.5755 0.9223 -1.0419 H 1 UNK 0.0813 28 H13 -3.6026 -0.8280 -1.1481 H 1 UNK 0.0813 @BOND 1 1 4 1 2 1 5 1 3 1 8 2 4 1 11 1 5 2 6 1 6 2 7 1 7 2 9 2 8 2 11 1 9 3 11 1 10 10 14 1 11 11 12 1 12 12 13 1 13 13 14 1 14 3 15 1 15 4 16 1 16 5 17 1 17 6 18 1 18 7 19 1 19 10 20 1 20 10 21 1 21 10 22 1 22 12 23 1 23 12 24 1 24 13 25 1 25 13 26 1 26 14 27 1 27 14 28 1