@MOLECULE MOL 38 39 1 0 0 SMALL resp @ATOM 1 C1 3.0220 -1.3770 1.7240 C.3 1 MOL 0.3345 2 C2 2.9740 0.1290 1.4990 C.3 1 MOL -0.3719 3 C3 2.4660 0.2060 0.0660 C.3 1 MOL 0.3598 4 C4 3.0050 -1.0870 -0.5720 C.3 1 MOL 0.2781 5 C5 4.1560 -0.8560 -1.5300 C.3 1 MOL 0.1467 6 O1 3.4370 -1.9040 0.4870 O.3 1 MOL -0.5048 7 O2 1.0310 0.1330 0.0230 O.3 1 MOL -0.4970 8 H1 -5.0380 -0.6610 1.9510 H 1 MOL 0.4058 9 H2 5.8830 0.0270 -1.4430 H 1 MOL 0.4454 10 O3 5.0930 -0.0070 -0.9230 O.3 1 MOL -0.6748 11 O4 -4.7540 -1.2720 1.2850 O.3 1 MOL -0.6665 12 H3 3.7370 -1.6830 2.4760 H 1 MOL 0.0058 13 H4 -3.3550 -1.6520 -2.4610 H 1 MOL 0.0315 14 H5 0.5950 3.1830 -0.8740 H 1 MOL 0.4729 15 H6 2.0450 -1.7690 1.9920 H 1 MOL 0.0058 16 H7 2.3410 0.6660 2.1920 H 1 MOL 0.1268 17 H8 3.9760 0.5380 1.5320 H 1 MOL 0.1268 18 H9 2.7850 1.0900 -0.4630 H 1 MOL 0.0195 19 H10 2.2000 -1.5770 -1.1090 H 1 MOL 0.0179 20 H11 4.5960 -1.8180 -1.7730 H 1 MOL 0.0207 21 H12 3.7720 -0.4120 -2.4470 H 1 MOL 0.0207 22 C6 -3.8240 -1.3680 -1.5300 C.3 1 MOL 0.2165 23 C7 -3.1070 -1.8920 -0.2920 C.3 1 MOL -0.1168 24 C8 -3.5140 -0.8680 0.7570 C.3 1 MOL 0.2314 25 C9 -3.6490 0.4260 -0.0740 C.3 1 MOL 0.3317 26 C10 -2.5010 1.4020 0.0800 C.3 1 MOL -0.2385 27 O5 -3.7510 0.0360 -1.4170 O.3 1 MOL -0.4876 28 O6 -1.2720 0.7120 -0.1240 O.3 1 MOL -0.2820 29 P1 0.1110 1.3880 0.1710 P.3 1 MOL 1.1674 30 O7 0.1960 2.1720 1.3930 O.3 1 MOL -0.7074 31 O8 0.4420 2.2760 -1.1110 O.3 1 MOL -0.6809 32 H13 -4.8620 -1.6850 -1.5480 H 1 MOL 0.0315 33 H14 -3.4060 -2.8920 -0.0060 H 1 MOL 0.0498 34 H15 -2.0350 -1.8620 -0.4390 H 1 MOL 0.0498 35 H16 -2.7810 -0.7680 1.5510 H 1 MOL 0.0296 36 H17 -4.5560 0.9520 0.2190 H 1 MOL 0.0166 37 H18 -2.5930 2.1860 -0.6610 H 1 MOL 0.1427 38 H19 -2.5020 1.8400 1.0700 H 1 MOL 0.1427 @BOND 1 1 2 1 2 1 6 1 3 1 12 1 4 1 15 1 5 2 3 1 6 2 16 1 7 2 17 1 8 3 4 1 9 3 7 1 10 3 18 1 11 4 5 1 12 4 6 1 13 4 19 1 14 5 10 1 15 5 20 1 16 5 21 1 17 7 29 1 18 8 11 1 19 9 10 1 20 11 24 1 21 13 22 1 22 14 31 1 23 22 23 1 24 22 27 1 25 22 32 1 26 23 24 1 27 23 33 1 28 23 34 1 29 24 25 1 30 24 35 1 31 25 26 1 32 25 27 1 33 25 36 1 34 26 28 1 35 26 37 1 36 26 38 1 37 28 29 1 38 29 30 2 39 29 31 1 @SUBSTRUCTURE 1 MOL 1 TEMP 0 **** **** 0 ROOT