@MOLECULE ***** 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.3070 0.5370 0.7960 C.ar 1 UNL1 -0.0512 2 C -6.6000 0.1080 1.0460 C.ar 1 UNL1 -0.0430 3 C -7.0120 -1.1190 0.5590 C.ar 1 UNL1 0.0276 4 N -6.1930 -1.8840 -0.1370 N.ar 1 UNL1 -0.2627 5 C -4.9550 -1.5190 -0.3990 C.ar 1 UNL1 0.0352 6 C -4.4660 -0.2940 0.0510 C.ar 1 UNL1 0.0002 7 C -3.0710 0.1170 -0.2460 C.ar 1 UNL1 -0.0164 8 C -2.5900 1.3410 0.2130 C.ar 1 UNL1 -0.0537 9 C -1.2920 1.7180 -0.0650 C.ar 1 UNL1 -0.0568 10 C -2.2360 -0.7230 -0.9800 C.ar 1 UNL1 -0.0537 11 C -0.9400 -0.3370 -1.2520 C.ar 1 UNL1 -0.0568 12 C -0.4690 0.8820 -0.7990 C.ar 1 UNL1 -0.0335 13 C 0.9480 1.2990 -1.1000 C.3 1 UNL1 0.0219 14 N 1.8350 0.8280 -0.0280 N.3 1 UNL1 -0.3016 15 C 3.2280 1.2170 -0.2890 C.3 1 UNL1 0.0848 16 C 3.4620 2.6160 0.2200 C.2 1 UNL1 0.2275 17 O 2.5580 3.2290 0.7470 O.2 1 UNL1 -0.2743 18 N 4.6760 3.1870 0.0880 N.am 1 UNL1 -0.3280 19 C 4.1700 0.2490 0.4290 C.3 1 UNL1 -0.0290 20 C 4.0210 -1.1490 -0.1740 C.3 1 UNL1 -0.0501 21 C 4.9640 -2.1170 0.5440 C.3 1 UNL1 -0.0406 22 C 4.8150 -3.5150 -0.0590 C.3 1 UNL1 -0.0069 23 N 5.7200 -4.4450 0.6300 N.3 1 UNL1 -0.3300 24 H -4.9590 1.4910 1.1640 H 1 UNL1 0.0625 25 H -7.2790 0.7260 1.6140 H 1 UNL1 0.0633 26 H -8.0190 -1.4560 0.7520 H 1 UNL1 0.0829 27 H -4.3140 -2.1720 -0.9720 H 1 UNL1 0.0836 28 H -3.2320 1.9950 0.7850 H 1 UNL1 0.0624 29 H -0.9180 2.6670 0.2890 H 1 UNL1 0.0621 30 H -2.6030 -1.6750 -1.3340 H 1 UNL1 0.0624 31 H -0.2920 -0.9870 -1.8210 H 1 UNL1 0.0621 32 H 1.2610 0.8630 -2.0490 H 1 UNL1 0.0474 33 H 1.0010 2.3860 -1.1650 H 1 UNL1 0.0474 34 H 1.7560 -0.1700 0.0950 H 1 UNL1 0.1230 35 H 3.4200 1.1840 -1.3610 H 1 UNL1 0.0556 36 H 5.3990 2.6970 -0.3340 H 1 UNL1 0.1450 37 H 4.8270 4.0870 0.4150 H 1 UNL1 0.1450 38 H 5.1990 0.5890 0.3090 H 1 UNL1 0.0285 39 H 3.9190 0.2170 1.4890 H 1 UNL1 0.0285 40 H 2.9920 -1.4880 -0.0540 H 1 UNL1 0.0266 41 H 4.2720 -1.1160 -1.2340 H 1 UNL1 0.0266 42 H 5.9930 -1.7780 0.4240 H 1 UNL1 0.0277 43 H 4.7130 -2.1500 1.6040 H 1 UNL1 0.0277 44 H 3.7860 -3.8550 0.0600 H 1 UNL1 0.0422 45 H 5.0660 -3.4830 -1.1190 H 1 UNL1 0.0422 46 H 5.6400 -5.3760 0.2500 H 1 UNL1 0.1182 47 H 6.6740 -4.1180 0.5890 H 1 UNL1 0.1182 @BOND 1 23 22 1 2 22 21 1 3 21 20 1 4 20 19 1 5 19 15 1 6 15 14 1 7 15 16 1 8 14 13 1 9 9 8 ar 10 9 12 ar 11 8 7 ar 12 13 12 1 13 16 18 am 14 16 17 2 15 12 11 ar 16 5 4 ar 17 5 6 ar 18 7 6 1 19 7 10 ar 20 4 3 ar 21 6 1 ar 22 11 10 ar 23 3 2 ar 24 1 2 ar 25 1 24 1 26 2 25 1 27 3 26 1 28 5 27 1 29 8 28 1 30 9 29 1 31 10 30 1 32 11 31 1 33 13 32 1 34 13 33 1 35 14 34 1 36 15 35 1 37 18 36 1 38 18 37 1 39 19 38 1 40 19 39 1 41 20 40 1 42 20 41 1 43 21 42 1 44 21 43 1 45 22 44 1 46 22 45 1 47 23 46 1 48 23 47 1