@MOLECULE 6PYR 56 61 1 SMALL USER_CHARGES @ATOM 1 C1 34.2130 13.3900 32.1220 C.ar 1 UNK 0.0000 2 C2 33.4370 14.5640 31.9330 C.ar 1 UNK 0.0000 3 C3 33.9460 15.7700 32.3520 C.ar 1 UNK 0.0000 4 C4 35.9040 14.5740 33.1340 C.ar 1 UNK 0.0000 5 C5 37.0520 14.9580 33.7900 C.ar 1 UNK 0.0000 6 C6 36.9460 16.3710 33.9040 C.ar 1 UNK 0.0000 7 C7 37.9620 12.7020 34.4740 C.ar 1 UNK 0.0000 8 C8 38.9600 11.8950 35.0610 C.ar 1 UNK 0.0000 9 C9 39.3570 14.6990 34.7350 C.ar 1 UNK 0.0000 10 C10 41.6560 14.3050 35.9620 C.3 1 UNK 0.0000 11 C11 42.1100 12.9180 36.4810 C.2 1 UNK 0.0000 12 C12 43.0910 14.0430 33.7880 C.ar 1 UNK 0.0000 13 C13 44.6430 12.4550 32.7580 C.ar 1 UNK 0.0000 14 C14 43.8840 12.4750 31.5730 C.ar 1 UNK 0.0000 15 C15 41.4060 15.2590 37.1450 C.3 1 UNK 0.0000 16 C16 32.8020 9.6720 30.8080 C.ar 1 UNK 0.0000 17 C17 34.5800 11.0720 31.1460 C.ar 1 UNK 0.0000 18 C18 32.2760 8.3670 30.2500 C.3 1 UNK 0.0000 19 N19 35.1730 15.7690 32.9370 N.pl3 1 UNK 0.0000 20 N20 35.4080 13.3960 32.7080 N.2 1 UNK 0.0000 21 N21 35.8410 16.8690 33.4020 N.2 1 UNK 0.0000 22 C22 38.1370 14.1060 34.3150 C.ar 1 UNK 0.0000 23 C23 40.1340 12.5260 35.4920 C.ar 1 UNK 0.0000 24 C24 40.3420 13.8860 35.3280 C.ar 1 UNK 0.0000 25 O25 43.1660 12.7280 37.0820 O.2 1 UNK 0.0000 26 N26 41.2160 11.9700 36.1730 N.am 1 UNK 0.0000 27 C27 42.6870 14.9150 34.9720 C.3 1 UNK 0.0000 28 C28 44.2520 13.2410 33.8590 C.ar 1 UNK 0.0000 29 C29 42.7310 13.2790 31.4940 C.ar 1 UNK 0.0000 30 C30 42.3340 14.0540 32.6000 C.ar 1 UNK 0.0000 31 C31 33.7310 12.0690 31.6750 C.ar 1 UNK 0.0000 32 C32 32.3670 11.7160 31.7220 C.ar 1 UNK 0.0000 33 N33 31.9000 10.5250 31.2970 N.ar 1 UNK 0.0000 34 N34 34.1170 9.8800 30.7060 N.ar 1 UNK 0.0000 35 H35 32.4650 14.5330 31.4530 H 1 UNK 0.0000 36 H36 33.4320 16.7190 32.2440 H 1 UNK 0.0000 37 H37 37.6500 17.0440 34.3710 H 1 UNK 0.0000 38 H38 37.0440 12.2180 34.1830 H 1 UNK 0.0000 39 H39 38.8070 10.8350 35.2030 H 1 UNK 0.0000 40 H40 39.5270 15.7610 34.6480 H 1 UNK 0.0000 41 H41 45.5300 11.8400 32.8220 H 1 UNK 0.0000 42 H42 44.1840 11.8770 30.7260 H 1 UNK 0.0000 43 H43 40.9340 16.1850 36.8170 H 1 UNK 0.0000 44 H44 40.7490 14.8040 37.8870 H 1 UNK 0.0000 45 H45 42.3360 15.5250 37.6490 H 1 UNK 0.0000 46 H46 35.6410 11.2450 31.0510 H 1 UNK 0.0000 47 H47 32.8520 7.5270 30.6370 H 1 UNK 0.0000 48 H48 31.2290 8.2090 30.5130 H 1 UNK 0.0000 49 H49 32.3510 8.3700 29.1630 H 1 UNK 0.0000 50 H50 41.2830 10.9900 36.4050 H 1 UNK 0.0000 51 H51 43.5920 15.1970 35.5150 H 1 UNK 0.0000 52 H52 42.2870 15.8490 34.5750 H 1 UNK 0.0000 53 H53 44.8440 13.2260 34.7630 H 1 UNK 0.0000 54 H54 42.1490 13.3010 30.5850 H 1 UNK 0.0000 55 H55 41.4490 14.6640 32.5400 H 1 UNK 0.0000 56 H56 31.6400 12.4070 32.1120 H 1 UNK 0.0000 @BOND 1 1 2 ar 2 1 20 ar 3 1 31 1 4 2 3 ar 5 2 35 1 6 3 19 ar 7 3 36 1 8 4 5 ar 9 4 19 ar 10 4 20 ar 11 5 6 ar 12 5 22 1 13 6 21 ar 14 6 37 1 15 7 8 ar 16 7 22 ar 17 7 38 1 18 8 23 ar 19 8 39 1 20 9 22 ar 21 9 24 ar 22 9 40 1 23 10 11 1 24 10 15 1 25 10 24 1 26 10 27 1 27 11 25 2 28 11 26 am BACKBONE|DICT|INTERRES 29 12 27 1 30 12 28 ar 31 12 30 ar 32 13 14 ar 33 13 28 ar 34 13 41 1 35 14 29 ar 36 14 42 1 37 15 43 1 38 15 44 1 39 15 45 1 40 16 18 1 41 16 33 ar 42 16 34 ar 43 17 31 ar 44 17 34 ar 45 17 46 1 46 18 47 1 47 18 48 1 48 18 49 1 49 19 21 ar 50 23 24 ar 51 23 26 1 52 26 50 1 53 27 51 1 54 27 52 1 55 28 53 1 56 29 30 ar 57 29 54 1 58 30 55 1 59 31 32 ar 60 32 33 ar 61 32 56 1 @SUBSTRUCTURE 1 UNK 1 GROUP 0 **** 0 ROOT