# Created by: Discovery Studio # Creation time: Sat Dec 23 15:18:40 中国标准时间 2017 @MOLECULE 5j89_lig-map 60 62 1 0 0 PROTEIN USER_CHARGES @ATOM 1 C 2.2560 7.9020 -4.4370 C.ar 1 UNK1 -0.0622 2 C 2.6480 6.6530 -4.1560 C.ar 1 UNK1 -0.0616 3 C 1.7900 5.7870 -3.5930 C.ar 1 UNK1 -0.0544 4 C 0.5180 6.1110 -3.2740 C.ar 1 UNK1 -0.0181 5 C 0.1520 7.3720 -3.5980 C.ar 1 UNK1 -0.0544 6 C 0.9950 8.2550 -4.1570 C.ar 1 UNK1 -0.0616 7 C -0.3480 5.2210 -2.7180 C.ar 1 UNK1 -0.0151 8 C -1.6560 5.3360 -3.0370 C.ar 1 UNK1 -0.0541 9 C -2.5830 4.4740 -2.6040 C.ar 1 UNK1 -0.0613 10 C -2.2140 3.4520 -1.8270 C.ar 1 UNK1 -0.0564 11 C -0.9300 3.3050 -1.4590 C.ar 1 UNK1 -0.0182 12 C -0.0040 4.2010 -1.8860 C.ar 1 UNK1 -0.0377 13 C 1.3860 4.0920 -1.2690 C.3 1 UNK1 -0.0388 14 C -0.5620 2.1320 -0.5570 C.3 1 UNK1 0.0804 15 O -1.4910 1.0650 -0.6230 O.3 1 UNK1 -0.3244 16 C -1.2710 0.0250 0.2490 C.ar 1 UNK1 0.1694 17 N -0.1130 -0.4890 0.3040 N.ar 1 UNK1 -0.1999 18 C 0.1770 -1.4500 1.0790 C.ar 1 UNK1 0.1734 19 C -0.7570 -1.9930 1.8880 C.ar 1 UNK1 0.0158 20 C -1.9980 -1.4820 1.8540 C.ar 1 UNK1 -0.0492 21 C -2.2540 -0.4630 1.0240 C.ar 1 UNK1 -0.0117 22 C -0.4250 -3.1490 2.8040 C.3 1 UNK1 0.0248 23 N -0.3760 -4.3770 2.0140 N.2 1 UNK1 -0.3108 24 H 0.7560 -6.6870 1.1430 H 1 UNK1 0.0504 25 H 1.1920 -8.3060 2.7920 H 1 UNK1 0.1630 26 H -1.0730 -10.4580 4.6000 H 1 UNK1 0.0330 27 H 3.4570 -1.4710 1.2270 H 1 UNK1 0.0536 28 H 2.3170 -0.3560 2.0890 H 1 UNK1 0.0536 29 C -0.1030 -5.5750 2.8060 C.3 1 UNK1 0.0129 30 C -0.0620 -6.8080 1.8920 C.3 1 UNK1 0.0299 31 N 0.2210 -8.0180 2.6700 N.am 1 UNK1 -0.3551 32 C -0.7550 -8.7200 3.3210 C.2 1 UNK1 0.2164 33 C -0.2410 -9.9220 4.0900 C.3 1 UNK1 0.0148 34 O -1.9210 -8.4110 3.2890 O.2 1 UNK1 -0.2754 35 O 1.4680 -1.9240 1.0300 O.3 1 UNK1 -0.3323 36 C 2.4770 -0.9470 1.1590 C.3 1 UNK1 0.0439 37 H 2.9520 8.6190 -4.9020 H 1 UNK1 0.0623 38 H 3.6720 6.3330 -4.4130 H 1 UNK1 0.0623 39 H 2.1720 4.7630 -3.4710 H 1 UNK1 0.0629 40 H -0.8510 7.7670 -3.3710 H 1 UNK1 0.0629 41 H 0.6560 9.2810 -4.3820 H 1 UNK1 0.0623 42 H -2.0390 6.1040 -3.7280 H 1 UNK1 0.0629 43 H -3.6380 4.5840 -2.9070 H 1 UNK1 0.0623 44 H -2.9940 2.7500 -1.4930 H 1 UNK1 0.0627 45 H 1.3400 3.7990 -0.1970 H 1 UNK1 0.0280 46 H 2.0160 3.3400 -1.7950 H 1 UNK1 0.0280 47 H 1.9150 5.0670 -1.2040 H 1 UNK1 0.0280 48 H 0.4280 1.7250 -0.8670 H 1 UNK1 0.0625 49 H -0.5180 2.4920 0.4970 H 1 UNK1 0.0625 50 H -2.8000 -1.8900 2.4890 H 1 UNK1 0.0629 51 H -3.2650 -0.0280 0.9760 H 1 UNK1 0.0668 52 H 0.5470 -2.9680 3.3180 H 1 UNK1 0.0480 53 H -1.1960 -3.2450 3.6030 H 1 UNK1 0.0480 54 H -1.2990 -4.4880 1.5240 H 1 UNK1 0.1226 55 H 0.8730 -5.4710 3.3370 H 1 UNK1 0.0446 56 H -0.9040 -5.7070 3.5710 H 1 UNK1 0.0446 57 H -1.0110 -6.9150 1.3190 H 1 UNK1 0.0504 58 H 0.4890 -9.5970 4.8650 H 1 UNK1 0.0330 59 H 0.2580 -10.6360 3.3960 H 1 UNK1 0.0330 60 H 2.4940 -0.2810 0.2680 H 1 UNK1 0.0536 @BOND 1 1 2 ar 2 1 6 ar 3 1 37 1 4 2 3 ar 5 2 38 1 6 3 4 ar 7 3 39 1 8 4 7 1 9 4 5 ar 10 5 6 ar 11 5 40 1 12 6 41 1 13 7 8 ar 14 7 12 ar 15 8 9 ar 16 8 42 1 17 9 10 ar 18 9 43 1 19 10 11 ar 20 10 44 1 21 11 14 1 22 11 12 ar 23 12 13 1 24 13 45 1 25 13 46 1 26 13 47 1 27 14 15 1 28 14 48 1 29 14 49 1 30 15 16 1 31 16 21 ar 32 16 17 ar 33 17 18 ar 34 18 35 1 35 18 19 ar 36 19 22 1 37 19 20 ar 38 20 21 ar 39 20 50 1 40 21 51 1 41 22 23 1 42 22 52 1 43 22 53 1 44 23 29 1 45 23 54 1 46 24 30 1 47 25 31 1 48 26 33 1 49 27 36 1 50 28 36 1 51 29 30 1 52 29 55 1 53 29 56 1 54 30 31 1 55 30 57 1 56 31 32 1 57 32 33 1 58 32 34 2 59 33 58 1 60 33 59 1 61 35 36 1 62 36 60 1 @SUBSTRUCTURE 1 UNK1 1 RESIDUE 1 _ UNK @ATOM_PROPERTY Formal Charge SciTegic.value.StringValue 1 0 2 0 3 0 4 0 5 0 6 0 7 0 8 0 9 0 10 0 11 0 12 0 13 0 14 0 15 0 16 0 17 0 18 0 19 0 20 0 21 0 22 0 23 0 24 0 25 0 26 0 27 0 28 0 29 0 30 0 31 0 32 0 33 0 34 0 35 0 36 0 37 0 38 0 39 0 40 0 41 0 42 0 43 0 44 0 45 0 46 0 47 0 48 0 49 0 50 0 51 0 52 0 53 0 54 0 55 0 56 0 57 0 58 0 59 0 60 0 @ATOM_PROPERTY pdb_tempFactor SciTegic.value.DoubleValue 1 0.00 2 0.00 3 0.00 4 0.00 5 0.00 6 0.00 7 0.00 8 0.00 9 0.00 10 0.00 11 0.00 12 0.00 13 0.00 14 0.00 15 0.00 16 0.00 17 0.00 18 0.00 19 0.00 20 0.00 21 0.00 22 0.00 23 0.00 24 0.00 25 0.00 26 0.00 27 0.00 28 0.00 29 0.00 30 0.00 31 0.00 32 0.00 33 0.00 34 0.00 35 0.00 36 0.00 37 0.00 38 0.00 39 0.00 40 0.00 41 0.00 42 0.00 43 0.00 44 0.00 45 0.00 46 0.00 47 0.00 48 0.00 49 0.00 50 0.00 51 0.00 52 0.00 53 0.00 54 0.00 55 0.00 56 0.00 57 0.00 58 0.00 59 0.00 60 0.00 @ATOM_PROPERTY pdb_occupancy SciTegic.value.DoubleValue 1 0.00 2 0.00 3 0.00 4 0.00 5 0.00 6 0.00 7 0.00 8 0.00 9 0.00 10 0.00 11 0.00 12 0.00 13 0.00 14 0.00 15 0.00 16 0.00 17 0.00 18 0.00 19 0.00 20 0.00 21 0.00 22 0.00 23 0.00 24 0.00 25 0.00 26 0.00 27 0.00 28 0.00 29 0.00 30 0.00 31 0.00 32 0.00 33 0.00 34 0.00 35 0.00 36 0.00 37 0.00 38 0.00 39 0.00 40 0.00 41 0.00 42 0.00 43 0.00 44 0.00 45 0.00 46 0.00 47 0.00 48 0.00 49 0.00 50 0.00 51 0.00 52 0.00 53 0.00 54 0.00 55 0.00 56 0.00 57 0.00 58 0.00 59 0.00 60 0.00