# Name: # Modification time : Tue Mar 19 10:27:10 2019 @MOLECULE 57 0 12 0 0 SMALL NO_CHARGES @ATOM 1 N -25.5540 -11.7130 23.3710 N.am 1 SEL1 -5.0047 2 O -25.5540 -11.7130 23.3710 O.2 2 ALL2 -5.0047 3 O -18.2550 -12.0390 26.9430 O.2 2 ALL2 -2.0000 4 OD1 -25.9180 -13.9340 24.6640 O.co2 3 ASL4 -4.0000 5 CA -24.6280 -11.9070 24.4390 C.3 4 GLL5 -3.7577 6 CA -23.2980 -11.3470 24.0210 C.3 4 GLL5 -4.4620 7 CA -20.4020 -13.6760 29.5540 C.3 4 GLL5 -3.9544 8 CA -27.2660 -15.8660 25.2740 C.3 4 GLL5 -1.9893 9 CA -31.5770 -15.4870 26.4770 C.3 4 GLL5 -1.3491 10 CA -29.3870 -13.7820 28.2780 C.3 4 GLL5 -3.8370 11 CA -20.5440 -10.6680 23.7850 C.3 4 GLL5 -4.6982 12 CA -18.3340 -10.8790 24.6670 C.3 4 GLL5 -3.7682 13 CA -19.2090 -12.5790 27.7620 C.3 4 GLL5 -3.5255 14 CA -32.3890 -15.7650 25.3550 C.3 4 GLL5 -2.0889 15 CA -20.1720 -11.7310 25.9110 C.3 4 GLL5 -2.9600 16 N -27.9310 -10.6550 24.3840 N.am 5 SEP1 0.0000 17 O -25.7480 -14.4660 21.6560 O.2 6 ALP2 0.0000 18 O -24.6960 -12.6330 21.0150 O.2 6 ALP2 0.0000 19 O -15.5260 -12.7070 26.6000 O.2 6 ALP2 0.0000 20 OD1 -25.7480 -14.4660 21.6560 O.co2 7 ASP4 0.0000 21 CA -24.8880 -10.6380 28.0090 C.3 8 GLP5 0.0000 22 CA -22.5100 -8.7320 20.9620 C.3 8 GLP5 0.0000 23 CA -24.0100 -9.6210 27.6650 C.3 8 GLP5 0.0000 24 CA -20.2070 -17.6390 30.4410 C.3 8 GLP5 0.0000 25 CA -28.9460 -18.4230 22.2690 C.3 8 GLP5 0.0000 26 CA -24.1900 -18.2140 27.4640 C.3 8 GLP5 0.0000 27 CA -34.1160 -12.8260 28.5830 C.3 8 GLP5 0.0000 28 CA -29.4570 -10.5430 26.3250 C.3 8 GLP5 0.0000 29 CA -32.8000 -13.6290 30.5150 C.3 8 GLP5 0.0000 30 CA -25.4920 -7.8050 23.6930 C.3 8 GLP5 0.0000 31 CA -21.0540 -8.3110 20.8670 C.3 8 GLP5 0.0000 32 CA -17.6310 -13.6190 22.1540 C.3 8 GLP5 0.0000 33 CA -15.4430 -9.0060 23.6910 C.3 8 GLP5 0.0000 34 CA -14.8850 -12.8590 27.8360 C.3 8 GLP5 0.0000 35 CA -36.0990 -16.2830 23.5650 C.3 8 GLP5 0.0000 36 CA -19.8230 -14.5950 23.0410 C.3 8 GLP5 0.0000 37 N -26.7425 -11.1840 23.8775 N.am 9 SEC1 0.0000 38 O -25.6510 -13.0895 22.5135 O.2 10 ALC2 0.0000 39 O -25.1250 -12.1730 22.1930 O.2 10 ALC2 0.0000 40 O -16.8905 -12.3730 26.7715 O.2 10 ALC2 0.0000 41 OD1 -25.8330 -14.2000 23.1600 O.co2 11 ASC4 0.0000 42 CA -24.7580 -11.2725 26.2240 C.3 12 GLC5 0.0000 43 CA -22.9040 -10.0395 22.4915 C.3 12 GLC5 0.0000 44 CA -23.6540 -10.4840 25.8430 C.3 12 GLC5 0.0000 45 CA -20.3045 -15.6575 29.9975 C.3 12 GLC5 0.0000 46 CA -28.1060 -17.1445 23.7715 C.3 12 GLC5 0.0000 47 CA -25.7280 -17.0400 26.3690 C.3 12 GLC5 0.0000 48 CA -32.8465 -14.1565 27.5300 C.3 12 GLC5 0.0000 49 CA -29.4220 -12.1625 27.3015 C.3 12 GLC5 0.0000 50 CA -31.0935 -13.7055 29.3965 C.3 12 GLC5 0.0000 51 CA -24.7275 -9.7160 23.9615 C.3 12 GLC5 0.0000 52 CA -20.4587 -9.4300 22.2980 C.3 12 GLC5 0.0000 53 CA -18.1947 -12.1367 23.1620 C.3 12 GLC5 0.0000 54 CA -17.1007 -9.8302 23.9305 C.3 12 GLC5 0.0000 55 CA -17.0427 -12.8868 28.1055 C.3 12 GLC5 0.0000 56 CA -34.1055 -16.0240 24.1373 C.3 12 GLC5 0.0000 57 CA -19.8499 -13.0159 24.2291 C.3 12 GLC5 0.0000 @BOND @SUBSTRUCTURE 1 SEL1 1 GROUP 1 Z SEL 0 ROOT SEL Z 0 2 ALL2 2 GROUP 1 Z ALL 0 **** ALL Z 1 3 ASL4 4 GROUP 1 Z ASL 0 **** ASL Z 3 4 GLL5 5 GROUP 1 Z GLL 0 **** GLL Z 4 5 SEP1 16 GROUP 1 Z SEP 0 **** SEP Z 7 6 ALP2 17 GROUP 1 Z ALP 0 **** ALP Z 8 7 ASP4 20 GROUP 1 Z ASP 0 **** ASP Z 10 8 GLP5 21 GROUP 1 Z GLP 0 **** GLP Z 11 9 SEC1 37 GROUP 1 Z SEC 0 **** SEC Z 14 10 ALC2 38 GROUP 1 Z ALC 0 **** ALC Z 15 11 ASC4 41 GROUP 1 Z ASC 0 **** ASC Z 17 12 GLC5 42 GROUP 1 Z GLC 0 **** GLC Z 18 @SET