@MOLECULE NP 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.8610 0.7040 -2.8200 C.ar 1 UNL1 -0.0320 2 C -1.9940 0.1000 -3.3330 C.ar 1 UNL1 -0.0542 3 C -1.9490 -0.5190 -4.5670 C.ar 1 UNL1 -0.0131 4 C -0.7660 -0.5350 -5.2910 C.ar 1 UNL1 0.1947 5 O -0.7190 -1.1430 -6.5050 O.3 1 UNL1 -0.5013 6 C 0.3690 0.0710 -4.7740 C.ar 1 UNL1 0.3143 7 N 1.6330 0.0550 -5.5440 N.pl3 1 UNL1 0.0834 8 O 1.6760 -0.4890 -6.6320 O.co2 1 UNL1 -0.5759 9 O 2.6290 0.5880 -5.0890 O.2 1 UNL1 0.0416 10 C 0.3170 0.6940 -3.5420 C.ar 1 UNL1 0.0230 11 C -0.9130 1.3790 -1.4730 C.3 1 UNL1 0.0493 12 C -0.5630 0.3820 -0.3980 C.2 1 UNL1 0.2174 13 O -0.2980 -0.7620 -0.6960 O.2 1 UNL1 -0.2755 14 N -0.5450 0.7640 0.8940 N.am 1 UNL1 -0.3150 15 C -0.2050 -0.2030 1.9390 C.3 1 UNL1 0.0116 16 C -0.2580 0.4810 3.3060 C.3 1 UNL1 -0.0374 17 C 0.0960 -0.5290 4.3980 C.3 1 UNL1 -0.0511 18 C 0.0440 0.1550 5.7640 C.3 1 UNL1 -0.0429 19 C 0.3980 -0.8560 6.8560 C.3 1 UNL1 0.0448 20 C 0.3470 -0.1810 8.2020 C.2 1 UNL1 0.3047 21 O 0.0560 0.9890 8.2810 O.2 1 UNL1 -0.2510 22 O 0.6240 -0.8790 9.3150 O.3 1 UNL1 -0.4806 23 H -2.9150 0.1120 -2.7690 H 1 UNL1 0.0622 24 H -2.8340 -0.9900 -4.9670 H 1 UNL1 0.0656 25 H -0.9480 -0.4720 -7.1630 H 1 UNL1 0.2924 26 H 1.2010 1.1660 -3.1390 H 1 UNL1 0.0689 27 H -1.9170 1.7640 -1.2990 H 1 UNL1 0.0407 28 H -0.1990 2.2020 -1.4520 H 1 UNL1 0.0407 29 H -0.7570 1.6800 1.1320 H 1 UNL1 0.1487 30 H 0.7980 -0.5890 1.7640 H 1 UNL1 0.0462 31 H -0.9190 -1.0270 1.9180 H 1 UNL1 0.0462 32 H -1.2620 0.8670 3.4800 H 1 UNL1 0.0280 33 H 0.4550 1.3040 3.3270 H 1 UNL1 0.0280 34 H 1.1010 -0.9150 4.2230 H 1 UNL1 0.0266 35 H -0.6170 -1.3530 4.3760 H 1 UNL1 0.0266 36 H -0.9600 0.5410 5.9390 H 1 UNL1 0.0270 37 H 0.7580 0.9780 5.7860 H 1 UNL1 0.0270 38 H 1.4030 -1.2410 6.6810 H 1 UNL1 0.0377 39 H -0.3150 -1.6790 6.8350 H 1 UNL1 0.0377 40 H 0.5900 -0.4460 10.1790 H 1 UNL1 0.2951 @BOND 1 1 2 ar 2 1 10 ar 3 1 11 1 4 2 3 ar 5 2 23 1 6 3 4 ar 7 3 24 1 8 4 5 1 9 4 6 ar 10 5 25 1 11 6 7 1 12 6 10 ar 13 7 8 1 14 7 9 2 15 10 26 1 16 11 12 1 17 11 27 1 18 11 28 1 19 12 13 2 20 12 14 am 21 14 15 1 22 14 29 1 23 15 16 1 24 15 30 1 25 15 31 1 26 16 17 1 27 16 32 1 28 16 33 1 29 17 18 1 30 17 34 1 31 17 35 1 32 18 19 1 33 18 36 1 34 18 37 1 35 19 20 1 36 19 38 1 37 19 39 1 38 20 21 2 39 20 22 1 40 22 40 1