@<TRIPOS>MOLECULE FDBF00170 17 16 0 0 0 SMALL GASTEIGER @<TRIPOS>ATOM 1 C1 2.1340 -1.1240 -0.0250 C.3 1 FRG1 -0.0641 2 C1 1.4820 -0.2350 1.0340 C.3 1 FRG1 -0.0411 3 C1 2.7090 3.4200 -0.3000 C.3 1 FRG1 0.0580 4 O1 2.3470 2.1360 0.1850 O.3 1 FRG1 -0.3030 5 N2 0.9750 1.9620 -0.0260 N.4 1 FRG1 -0.2016 6 C3 0.5600 0.8020 0.3940 C.3 1 FRG1 0.0213 7 H 2.7720 -1.8381 0.4524 H 1 FRG1 0.0230 8 H 2.7120 -0.5190 -0.6919 H 1 FRG1 0.0230 9 H 1.3743 -1.6372 -0.5767 H 1 FRG1 0.0230 10 H 2.2475 0.2710 1.5843 H 1 FRG1 0.0276 11 H 0.8974 -0.8537 1.6823 H 1 FRG1 0.0276 12 H 3.7567 3.5760 -0.1489 H 1 FRG1 0.0544 13 H 2.1571 4.1693 0.2280 H 1 FRG1 0.0544 14 H 2.4860 3.4826 -1.3446 H 1 FRG1 0.0544 15 H 0.7832 2.0384 -1.0249 H 1 FRG1 0.1538 16 H 0.1222 0.3213 -0.4558 H 1 FRG1 0.0447 17 H -0.0513 1.0841 1.2257 H 1 FRG1 0.0447 @<TRIPOS>BOND 1 3 4 1 2 5 4 1 3 5 6 1 4 1 2 1 5 6 2 1 6 1 7 1 7 1 8 1 8 1 9 1 9 2 10 1 10 2 11 1 11 3 12 1 12 3 13 1 13 3 14 1 14 5 15 1 15 6 16 1 16 6 17 1