@MOLECULE MOL 27 27 1 0 0 SMALL RESP @ATOM 1 H1 0.2330 2.9340 0.4960 H 1 MOL 0.1231 2 C1 -0.8250 2.7840 0.6780 C.3 1 MOL -0.4484 3 H2 -1.3600 3.6970 0.4620 H 1 MOL 0.1231 4 H3 -0.9630 2.5470 1.7290 H 1 MOL 0.1231 5 C2 -1.4060 1.6940 -0.2030 C.2 1 MOL 0.8365 6 O1 -2.4370 1.8750 -0.7870 O.2 1 MOL -0.6282 7 N1 -0.6890 0.5360 -0.3390 N.am 1 MOL -0.3946 8 C3 -1.3440 -0.6190 -0.9680 C.3 1 MOL -0.0252 9 H4 -0.9010 -0.8080 -1.9350 H 1 MOL 0.0588 10 H5 -2.3930 -0.4030 -1.0930 H 1 MOL 0.0588 11 C4 -1.1310 -1.8070 -0.0040 C.3 1 MOL 0.5182 12 H6 -0.5390 -2.5740 -0.4840 H 1 MOL -0.0420 13 O2 -2.3340 -2.3570 0.4730 O.3 1 MOL -0.7592 14 C5 -0.3790 -1.2150 1.1910 C.3 1 MOL -0.2252 15 H7 0.3230 -1.9090 1.6360 H 1 MOL 0.1154 16 H8 -1.1110 -0.9380 1.9410 H 1 MOL 0.1154 17 C6 0.2800 0.0550 0.6410 C.3 1 MOL -0.1035 18 H9 0.4510 0.7870 1.4150 H 1 MOL 0.0563 19 C7 1.5930 -0.2970 -0.0610 C.2 1 MOL 0.6692 20 O3 1.6440 -1.1550 -0.9020 O.2 1 MOL -0.5436 21 N2 2.6820 0.3850 0.3440 N.am 1 MOL -0.5214 22 H10 2.5720 1.1430 0.9760 H 1 MOL 0.3402 23 C8 3.9780 0.1790 -0.2700 C.3 1 MOL -0.3285 24 H11 4.1970 -0.8780 -0.3160 H 1 MOL 0.1513 25 H12 4.0120 0.5810 -1.2760 H 1 MOL 0.1513 26 H13 4.7300 0.6690 0.3330 H 1 MOL 0.1513 27 H14 -2.7610 -2.8390 -0.2210 H 1 MOL 0.4276 @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