@MOLECULE CZK 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.3630 1.6590 0.0340 C.ar 1 UNL1 0.0058 2 C -1.0360 2.2710 -0.2240 C.ar 1 UNL1 0.0928 3 C 3.0230 1.1450 -0.4820 C.3 1 UNL1 0.0873 4 C 5.1550 0.1580 1.2900 C.3 1 UNL1 0.0225 5 C 6.3710 -0.5580 -0.6760 C.3 1 UNL1 0.0225 6 C 0.6080 3.7730 -0.3560 C.ar 1 UNL1 0.0262 7 C -0.6840 3.6150 0.0060 C.ar 1 UNL1 -0.0163 8 C -7.1060 0.8420 1.1840 C.3 1 UNL1 0.0790 9 O -6.0620 -0.0360 0.7570 O.3 1 UNL1 -0.4915 10 C -4.8450 0.5210 0.5190 C.ar 1 UNL1 0.1615 11 C -3.7820 -0.2790 0.1110 C.ar 1 UNL1 0.1629 12 O -3.9600 -1.6180 -0.0490 O.3 1 UNL1 -0.4851 13 C -2.8650 -2.3580 -0.5910 C.3 1 UNL1 0.1004 14 C -3.3670 -3.6570 -1.2560 C.3 1 UNL1 -0.0158 15 C -2.3210 -4.7420 -0.9470 C.3 1 UNL1 -0.0496 16 C -1.2200 -4.0650 -0.1040 C.3 1 UNL1 -0.0496 17 C -1.9270 -2.8460 0.5410 C.3 1 UNL1 -0.0158 18 C -2.5450 0.2880 -0.1360 C.ar 1 UNL1 -0.0070 19 C -3.4280 2.4540 0.4540 C.ar 1 UNL1 -0.0488 20 C -4.6620 1.8850 0.6940 C.ar 1 UNL1 -0.0157 21 N 0.0220 1.6520 -0.7040 N.ar 1 UNL1 -0.1712 22 N 1.0670 2.5800 -0.7910 N.ar 1 UNL1 -0.2684 23 C 2.4220 2.3060 -1.2760 C.3 1 UNL1 0.0687 24 O 2.2790 -0.0470 -0.7440 O.3 1 UNL1 -0.3887 25 C 4.4800 0.9390 -0.9010 C.3 1 UNL1 0.0268 26 N 5.0570 -0.1760 -0.1390 N.3 1 UNL1 -0.2955 27 C 5.7030 -1.0490 2.0550 C.3 1 UNL1 0.0604 28 O 6.9660 -1.4260 1.5000 O.3 1 UNL1 -0.3772 29 C 6.9080 -1.7590 0.1100 C.3 1 UNL1 0.0604 30 H 2.9800 1.3720 0.5840 H 1 UNL1 0.0624 31 H 5.8260 1.0070 1.4200 H 1 UNL1 0.0449 32 H 4.1670 0.4140 1.6730 H 1 UNL1 0.0449 33 H 6.2700 -0.8260 -1.7280 H 1 UNL1 0.0449 34 H 7.0620 0.2800 -0.5770 H 1 UNL1 0.0449 35 H 1.1750 4.6900 -0.3010 H 1 UNL1 0.0826 36 H -1.3320 4.3830 0.4020 H 1 UNL1 0.0654 37 H -8.0210 0.2710 1.3380 H 1 UNL1 0.0660 38 H -6.8160 1.3230 2.1190 H 1 UNL1 0.0660 39 H -7.2760 1.6020 0.4220 H 1 UNL1 0.0660 40 H -2.3130 -1.7510 -1.3090 H 1 UNL1 0.0733 41 H -4.3340 -3.9400 -0.8400 H 1 UNL1 0.0301 42 H -3.4520 -3.5160 -2.3340 H 1 UNL1 0.0301 43 H -2.7820 -5.5510 -0.3790 H 1 UNL1 0.0266 44 H -1.8980 -5.1290 -1.8730 H 1 UNL1 0.0266 45 H -0.8550 -4.7470 0.6650 H 1 UNL1 0.0266 46 H -0.4010 -3.7350 -0.7420 H 1 UNL1 0.0266 47 H -1.2030 -2.0750 0.8060 H 1 UNL1 0.0301 48 H -2.5050 -3.1510 1.4130 H 1 UNL1 0.0301 49 H -1.7210 -0.3300 -0.4620 H 1 UNL1 0.0662 50 H -3.2870 3.5160 0.5910 H 1 UNL1 0.0625 51 H -5.4890 2.5030 1.0110 H 1 UNL1 0.0655 52 H 3.0410 3.1940 -1.1460 H 1 UNL1 0.0535 53 H 2.3830 2.0410 -2.3330 H 1 UNL1 0.0535 54 H 2.2740 -0.3110 -1.6740 H 1 UNL1 0.2099 55 H 4.5220 0.7110 -1.9660 H 1 UNL1 0.0452 56 H 5.0470 1.8480 -0.7010 H 1 UNL1 0.0452 57 H 5.8310 -0.7870 3.1050 H 1 UNL1 0.0572 58 H 5.0050 -1.8820 1.9700 H 1 UNL1 0.0572 59 H 6.2450 -2.6120 -0.0310 H 1 UNL1 0.0572 60 H 7.9070 -2.0100 -0.2470 H 1 UNL1 0.0572 @BOND 1 15 16 1 2 15 14 1 3 28 29 1 4 28 27 1 5 16 17 1 6 3 24 1 7 3 23 1 8 3 25 1 9 5 26 1 10 5 29 1 11 26 25 1 12 26 4 1 13 23 22 1 14 27 4 1 15 17 13 1 16 14 13 1 17 22 21 ar 18 22 6 ar 19 13 12 1 20 21 2 ar 21 6 7 ar 22 2 7 ar 23 2 1 1 24 12 11 1 25 18 1 ar 26 18 11 ar 27 1 19 ar 28 11 10 ar 29 19 20 ar 30 10 9 1 31 10 20 ar 32 9 8 1 33 3 30 1 34 4 31 1 35 4 32 1 36 5 33 1 37 5 34 1 38 6 35 1 39 7 36 1 40 8 37 1 41 8 38 1 42 8 39 1 43 13 40 1 44 14 41 1 45 14 42 1 46 15 43 1 47 15 44 1 48 16 45 1 49 16 46 1 50 17 47 1 51 17 48 1 52 18 49 1 53 19 50 1 54 20 51 1 55 23 52 1 56 23 53 1 57 24 54 1 58 25 55 1 59 25 56 1 60 27 57 1 61 27 58 1 62 29 59 1 63 29 60 1