@MOLECULE MOL 27 27 1 0 0 SMALL RESP @ATOM 1 H1 0.5880 1.6270 1.9740 H 1 MOL 0.0653 2 C1 0.6310 2.2400 1.0830 C.3 1 MOL -0.1956 3 H2 1.6210 2.1330 0.6530 H 1 MOL 0.0653 4 H3 0.4840 3.2770 1.3470 H 1 MOL 0.0653 5 C2 -0.4250 1.8710 0.0640 C.2 1 MOL 0.6101 6 O1 -1.0230 2.7160 -0.5470 O.2 1 MOL -0.6082 7 N1 -0.6690 0.5490 -0.1530 N.am 1 MOL -0.1335 8 C3 -1.8100 0.1530 -0.9750 C.3 1 MOL -0.3352 9 H4 -1.5520 0.1440 -2.0300 H 1 MOL 0.1279 10 H5 -2.6250 0.8500 -0.8440 H 1 MOL 0.1279 11 C4 -2.1360 -1.2500 -0.4750 C.3 1 MOL 0.3255 12 H6 -2.6240 -1.8510 -1.2360 H 1 MOL 0.0153 13 O2 -2.9020 -1.2200 0.7000 O.3 1 MOL -0.7075 14 C5 -0.7670 -1.7960 -0.0960 C.3 1 MOL 0.1594 15 H7 -0.2390 -2.1120 -0.9890 H 1 MOL -0.0178 16 H8 -0.8320 -2.6330 0.5840 H 1 MOL -0.0178 17 C6 -0.0650 -0.5840 0.5430 C.3 1 MOL -0.1087 18 H9 -0.2830 -0.5540 1.6020 H 1 MOL 0.1111 19 C7 1.4540 -0.6890 0.4310 C.2 1 MOL 0.6280 20 O3 2.1040 -1.0860 1.3580 O.2 1 MOL -0.5925 21 N2 1.9870 -0.3980 -0.7740 N.am 1 MOL -0.3520 22 H10 1.4120 0.0580 -1.4450 H 1 MOL 0.2764 23 C8 3.4150 -0.4540 -1.0020 C.3 1 MOL -0.5941 24 H11 3.9390 0.3500 -0.4950 H 1 MOL 0.2142 25 H12 3.8070 -1.3940 -0.6420 H 1 MOL 0.2142 26 H13 3.6000 -0.3790 -2.0650 H 1 MOL 0.2142 27 H14 -3.7350 -0.8000 0.5360 H 1 MOL 0.4428 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 am 7 7 8 1 8 7 17 1 9 8 9 1 10 8 10 1 11 8 11 1 12 11 12 1 13 11 13 1 14 11 14 1 15 13 27 1 16 14 15 1 17 14 16 1 18 14 17 1 19 17 18 1 20 17 19 1 21 19 20 2 22 19 21 am 23 21 22 1 24 21 23 1 25 23 24 1 26 23 25 1 27 23 26 1 @SUBSTRUCTURE 1 MOL 1 TEMP 0 **** **** 0 ROOT