@MOLECULE CFV 32 32 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0130 3.6810 0.0020 O.3 1 UNL1 -0.3225 2 P -0.6340 2.1170 -0.0490 P.3 1 UNL1 0.3531 3 O 0.5570 1.9250 -0.9050 O.2 1 UNL1 -0.2564 4 O -0.3150 1.5940 1.4400 O.3 1 UNL1 -0.3225 5 C -2.0350 1.1740 -0.7360 C.3 1 UNL1 0.1489 6 O -1.6990 -0.2140 -0.7810 O.3 1 UNL1 -0.3604 7 C -1.7280 -0.8600 0.4930 C.3 1 UNL1 0.1004 8 C -3.1280 -1.4210 0.7500 C.3 1 UNL1 0.0721 9 O -3.4110 -2.4480 -0.2010 O.3 1 UNL1 -0.3924 10 C -0.7100 -2.0030 0.5090 C.3 1 UNL1 0.0560 11 N 0.6420 -1.4540 0.3820 N.ar 1 UNL1 -0.2965 12 C 1.3440 -1.1170 1.5010 C.ar 1 UNL1 0.0127 13 C 2.5930 -0.6110 1.3710 C.ar 1 UNL1 -0.0057 14 C 3.1330 -0.4470 0.0790 C.ar 1 UNL1 0.1230 15 N 4.4000 0.0650 -0.0820 N.pl3 1 UNL1 -0.3430 16 N 2.4120 -0.7890 -0.9810 N.ar 1 UNL1 -0.1784 17 C 1.1870 -1.2910 -0.8370 C.ar 1 UNL1 0.3502 18 O 0.5460 -1.6030 -1.8270 O.2 1 UNL1 -0.2444 19 H -0.3120 4.2440 0.3580 H 1 UNL1 0.2198 20 H -1.0530 1.6890 2.0570 H 1 UNL1 0.2198 21 H -2.9130 1.3160 -0.1050 H 1 UNL1 0.0687 22 H -2.2510 1.5280 -1.7440 H 1 UNL1 0.0687 23 H -1.4770 -0.1400 1.2720 H 1 UNL1 0.0637 24 H -3.1750 -1.8350 1.7570 H 1 UNL1 0.0583 25 H -3.8630 -0.6220 0.6510 H 1 UNL1 0.0583 26 H -4.2850 -2.8500 -0.0980 H 1 UNL1 0.2095 27 H -0.7940 -2.5510 1.4470 H 1 UNL1 0.0519 28 H -0.9080 -2.6770 -0.3250 H 1 UNL1 0.0519 29 H 0.9080 -1.2520 2.4800 H 1 UNL1 0.0811 30 H 3.1670 -0.3360 2.2440 H 1 UNL1 0.0666 31 H 4.9240 0.3140 0.6950 H 1 UNL1 0.1437 32 H 4.7680 0.1760 -0.9720 H 1 UNL1 0.1437 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 7 10 1 9 8 9 1 10 10 11 1 11 11 12 ar 12 11 17 ar 13 12 13 ar 14 13 14 ar 15 14 15 1 16 14 16 ar 17 16 17 ar 18 17 18 2 19 1 19 1 20 4 20 1 21 5 21 1 22 5 22 1 23 7 23 1 24 8 24 1 25 8 25 1 26 9 26 1 27 10 27 1 28 10 28 1 29 12 29 1 30 13 30 1 31 15 31 1 32 15 32 1