@MOLECULE ***** 59 61 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.7670 0.3860 4.9450 C.3 1 UNL1 0.1993 2 C 1.0130 -0.4450 6.2050 C.3 1 UNL1 0.1347 3 O 2.2250 -1.1880 6.0610 O.3 1 UNL1 -0.3841 4 C -0.1590 -1.4110 6.4040 C.3 1 UNL1 0.1145 5 O -0.0190 -2.0860 7.6550 O.3 1 UNL1 -0.3864 6 C -1.4660 -0.6090 6.3960 C.3 1 UNL1 0.1201 7 O -2.5820 -1.5010 6.4270 O.3 1 UNL1 -0.3860 8 C -1.5230 0.2370 5.1220 C.3 1 UNL1 0.1859 9 O -0.4270 1.1500 5.0960 O.3 1 UNL1 -0.3310 10 C -2.8170 1.0080 5.0920 C.2 1 UNL1 0.3367 11 O -2.8010 2.2150 5.0520 O.2 1 UNL1 -0.2480 12 O -3.9890 0.3520 5.1100 O.3 1 UNL1 -0.4788 13 P 1.1660 0.3280 2.5360 P.3 1 UNL1 0.4857 14 O 2.5820 0.7050 2.7430 O.2 1 UNL1 -0.2268 15 O 0.2800 1.6580 2.3380 O.3 1 UNL1 -0.3022 16 O 0.6330 -0.4840 3.8200 O.3 1 UNL1 -0.2536 17 O 1.0430 -0.5980 1.2250 O.3 1 UNL1 -0.1860 18 P 1.5900 0.2730 -0.0120 P.3 1 UNL1 0.4835 19 O 3.0000 0.6500 0.2330 O.2 1 UNL1 -0.2269 20 O 0.6980 1.6030 -0.1680 O.3 1 UNL1 -0.3022 21 O 1.4960 -0.5970 -1.3640 O.3 1 UNL1 -0.2837 22 C 1.9930 0.2260 -2.4210 C.3 1 UNL1 0.0879 23 C 1.9310 -0.5450 -3.7400 C.3 1 UNL1 0.1134 24 O 0.5680 -0.8800 -4.0470 O.3 1 UNL1 -0.3456 25 C 2.4580 0.3370 -4.8890 C.3 1 UNL1 0.1135 26 O 3.5920 -0.2670 -5.5130 O.3 1 UNL1 -0.3864 27 C 1.2680 0.4130 -5.8810 C.3 1 UNL1 0.1286 28 O 1.7240 0.3110 -7.2310 O.3 1 UNL1 -0.3847 29 C 0.4340 -0.8300 -5.4830 C.3 1 UNL1 0.1679 30 N -0.9690 -0.6570 -5.8650 N.ar 1 UNL1 -0.2715 31 C -1.5740 -1.5880 -6.6640 C.ar 1 UNL1 0.0171 32 C -1.6530 0.4130 -5.4210 C.ar 1 UNL1 0.3314 33 O -1.0960 1.2280 -4.7110 O.2 1 UNL1 -0.2464 34 N -2.9430 0.5990 -5.7600 N.ar 1 UNL1 -0.2749 35 C -3.5750 -0.2950 -6.5460 C.ar 1 UNL1 0.2539 36 O -4.7430 -0.1290 -6.8490 O.2 1 UNL1 -0.2677 37 C -2.8680 -1.4280 -7.0150 C.ar 1 UNL1 0.0192 38 H 1.6090 1.0590 4.7840 H 1 UNL1 0.0943 39 H 1.0910 0.2150 7.0690 H 1 UNL1 0.0671 40 H 2.9360 -0.5440 5.9390 H 1 UNL1 0.2101 41 H -0.1730 -2.1410 5.5940 H 1 UNL1 0.0648 42 H 0.8160 -2.5720 7.6180 H 1 UNL1 0.2100 43 H -1.4950 0.0420 7.2690 H 1 UNL1 0.0652 44 H -3.3780 -0.9520 6.4160 H 1 UNL1 0.2100 45 H -1.4700 -0.4160 4.2520 H 1 UNL1 0.0741 46 H -4.8200 0.8470 5.0900 H 1 UNL1 0.2951 47 H -0.6320 1.3680 2.2060 H 1 UNL1 0.2220 48 H -0.2100 1.3130 -0.3270 H 1 UNL1 0.2220 49 H 1.3840 1.1260 -2.4970 H 1 UNL1 0.0592 50 H 3.0260 0.5030 -2.2100 H 1 UNL1 0.0592 51 H 2.5290 -1.4530 -3.6670 H 1 UNL1 0.0647 52 H 2.7120 1.3310 -4.5200 H 1 UNL1 0.0647 53 H 3.8370 0.2990 -6.2580 H 1 UNL1 0.2100 54 H 0.6960 1.3290 -5.7340 H 1 UNL1 0.0665 55 H 2.2340 1.1120 -7.4150 H 1 UNL1 0.2101 56 H 0.8460 -1.7300 -5.9390 H 1 UNL1 0.0867 57 H -1.0190 -2.4460 -7.0130 H 1 UNL1 0.0813 58 H -3.4200 1.3780 -5.4340 H 1 UNL1 0.1734 59 H -3.3580 -2.1550 -7.6460 H 1 UNL1 0.0686 @BOND 1 1 2 1 2 1 9 1 3 1 16 1 4 1 38 1 5 2 3 1 6 2 4 1 7 2 39 1 8 3 40 1 9 4 5 1 10 4 6 1 11 4 41 1 12 5 42 1 13 6 7 1 14 6 8 1 15 6 43 1 16 7 44 1 17 8 9 1 18 8 10 1 19 8 45 1 20 10 11 2 21 10 12 1 22 12 46 1 23 13 14 2 24 13 15 1 25 13 16 1 26 13 17 1 27 15 47 1 28 17 18 1 29 18 19 2 30 18 20 1 31 18 21 1 32 20 48 1 33 21 22 1 34 22 23 1 35 22 49 1 36 22 50 1 37 23 24 1 38 23 25 1 39 23 51 1 40 24 29 1 41 25 26 1 42 25 27 1 43 25 52 1 44 26 53 1 45 27 28 1 46 27 29 1 47 27 54 1 48 28 55 1 49 29 30 1 50 29 56 1 51 30 31 ar 52 30 32 ar 53 31 37 ar 54 31 57 1 55 32 33 2 56 32 34 ar 57 34 35 ar 58 34 58 1 59 35 36 2 60 35 37 ar 61 37 59 1