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Copy pathNAG_ext.sdf
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NAG_ext.sdf
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NAG_ext.pdb
OpenBabel09302007053D
84 84 0 0 1 0 0 0 0 0999 V2000
48.7340 54.3770 -41.9060 C 0 0 0 0 0 0 0 0 0 0 0 0
48.5150 53.4630 -43.1270 C 0 0 1 0 0 0 0 0 0 0 0 0
47.2620 52.6010 -42.8640 C 0 0 2 0 0 0 0 0 0 0 0 0
47.3170 51.9020 -41.4770 C 0 0 1 0 0 0 0 0 0 0 0 0
47.9780 52.7090 -40.3420 C 0 0 1 0 0 0 0 0 0 0 0 0
48.5600 51.7240 -39.3240 C 0 0 0 0 0 0 0 0 0 0 0 0
48.6990 53.8990 -45.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
49.1190 52.4860 -45.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
48.4440 54.2630 -44.3520 N 0 0 0 0 0 0 0 0 0 0 0 0
47.0350 51.6570 -43.9080 O 0 0 0 0 0 0 0 0 0 0 0 0
46.0260 51.5170 -41.0120 O 0 0 0 0 0 0 0 0 0 0 0 0
49.0170 53.5810 -40.7680 O 0 0 0 0 0 0 0 0 0 0 0 0
49.9290 51.5600 -39.6300 O 0 0 0 0 0 0 0 0 0 0 0 0
48.5870 54.7140 -46.5460 O 0 0 0 0 0 0 0 0 0 0 0 0
74.3700 69.6790 -52.7280 C 0 0 0 0 0 0 0 0 0 0 0 0
75.0830 68.5270 -53.4810 C 0 0 1 0 0 0 0 0 0 0 0 0
75.9890 69.1520 -54.5360 C 0 0 2 0 0 0 0 0 0 0 0 0
75.0840 69.7770 -55.6250 C 0 0 1 0 0 0 0 0 0 0 0 0
73.9870 70.6970 -55.0200 C 0 0 1 0 0 0 0 0 0 0 0 0
72.5020 70.4920 -55.4770 C 0 0 0 0 0 0 0 0 0 0 0 0
75.3940 66.1890 -52.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
74.1640 65.5180 -53.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
75.7540 67.4990 -52.6590 N 0 0 0 0 0 0 0 0 0 0 0 0
76.8940 68.1760 -55.0050 O 0 0 0 0 0 0 0 0 0 0 0 0
75.8640 70.5250 -56.5400 O 0 0 0 0 0 0 0 0 0 0 0 0
74.1530 70.8240 -53.5840 O 0 0 0 0 0 0 0 0 0 0 0 0
72.1200 69.2240 -55.9920 O 0 0 0 0 0 0 0 0 0 0 0 0
76.0890 65.4720 -51.7150 O 0 0 0 0 0 0 0 0 0 0 0 0
89.8900 42.4650 -32.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
90.8820 41.8500 -33.1770 C 0 0 1 0 0 0 0 0 0 0 0 0
91.3360 40.3860 -32.8420 C 0 0 2 0 0 0 0 0 0 0 0 0
91.9000 40.3290 -31.4250 C 0 0 1 0 0 0 0 0 0 0 0 0
90.7840 40.7620 -30.4510 C 0 0 1 0 0 0 0 0 0 0 0 0
91.2330 40.7490 -28.9810 C 0 0 0 0 0 0 0 0 0 0 0 0
90.4160 43.2450 -35.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
90.0520 43.1860 -36.6960 C 0 0 0 0 0 0 0 0 0 0 0 0
90.4940 42.0600 -34.5920 N 0 0 0 0 0 0 0 0 0 0 0 0
92.3230 39.7870 -33.6810 O 0 0 0 0 0 0 0 0 0 0 0 0
92.4470 39.0340 -31.1770 O 0 0 0 0 0 0 0 0 0 0 0 0
90.2090 42.0590 -30.7630 O 0 0 0 0 0 0 0 0 0 0 0 0
92.6030 41.0630 -28.7870 O 0 0 0 0 0 0 0 0 0 0 0 0
90.6020 44.3630 -34.7640 O 0 0 0 0 0 0 0 0 0 0 0 0
79.7000 29.7330 -6.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
80.5250 28.7190 -7.0510 C 0 0 1 0 0 0 0 0 0 0 0 0
80.0740 27.3680 -6.4820 C 0 0 2 0 0 0 0 0 0 0 0 0
80.5520 27.2980 -5.0230 C 0 0 1 0 0 0 0 0 0 0 0 0
80.1100 28.5180 -4.2190 C 0 0 1 0 0 0 0 0 0 0 0 0
81.0160 28.5690 -2.9980 C 0 0 0 0 0 0 0 0 0 0 0 0
81.2840 28.6700 -9.4230 C 0 0 0 0 0 0 0 0 0 0 0 0
80.9930 29.0700 -10.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
80.3950 29.0020 -8.4810 N 0 0 0 0 0 0 0 0 0 0 0 0
80.5920 26.2910 -7.2240 O 0 0 0 0 0 0 0 0 0 0 0 0
80.0960 26.1510 -4.3530 O 0 0 0 0 0 0 0 0 0 0 0 0
80.2070 29.7490 -4.9460 O 0 0 0 0 0 0 0 0 0 0 0 0
80.2790 29.0730 -1.9130 O 0 0 0 0 0 0 0 0 0 0 0 0
82.3020 28.0310 -9.1930 O 0 0 0 0 0 0 0 0 0 0 0 0
49.3050 63.6920 -11.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
47.7790 63.5130 -11.5300 C 0 0 1 0 0 0 0 0 0 0 0 0
47.1100 64.7840 -12.1190 C 0 0 2 0 0 0 0 0 0 0 0 0
47.6030 66.0790 -11.4010 C 0 0 1 0 0 0 0 0 0 0 0 0
49.1600 66.1460 -11.2970 C 0 0 1 0 0 0 0 0 0 0 0 0
49.7030 67.3650 -10.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
46.9550 61.1290 -11.7060 C 0 0 0 0 0 0 0 0 0 0 0 0
46.5400 61.0990 -10.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
47.5040 62.2520 -12.2500 N 0 0 0 0 0 0 0 0 0 0 0 0
45.6880 64.6850 -12.1120 O 0 0 0 0 0 0 0 0 0 0 0 0
47.0620 67.2530 -12.0090 O 0 0 0 0 0 0 0 0 0 0 0 0
49.7000 64.9330 -10.7540 O 0 0 0 0 0 0 0 0 0 0 0 0
49.3730 67.3600 -9.1200 O 0 0 0 0 0 0 0 0 0 0 0 0
46.7660 60.1000 -12.3600 O 0 0 0 0 0 0 0 0 0 0 0 0
54.4980 84.9760 -16.7310 C 0 0 0 0 0 0 0 0 0 0 0 0
53.0900 84.3290 -16.7860 C 0 0 1 0 0 0 0 0 0 0 0 0
52.0030 84.9120 -15.8470 C 0 0 2 0 0 0 0 0 0 0 0 0
52.5490 85.8300 -14.7570 C 0 0 1 0 0 0 0 0 0 0 0 0
53.5100 86.7900 -15.4820 C 0 0 1 0 0 0 0 0 0 0 0 0
53.7120 88.2130 -14.8830 C 0 0 0 0 0 0 0 0 0 0 0 0
51.9050 83.4510 -18.8370 C 0 0 0 0 0 0 0 0 0 0 0 0
51.5970 83.7210 -20.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
52.6480 84.3700 -18.1880 N 0 0 0 0 0 0 0 0 0 0 0 0
51.2510 83.8960 -15.2160 O 0 0 0 0 0 0 0 0 0 0 0 0
51.4670 86.4490 -14.0780 O 0 0 0 0 0 0 0 0 0 0 0 0
54.6880 86.0200 -15.7570 O 0 0 0 0 0 0 0 0 0 0 0 0
54.0820 88.2380 -13.4900 O 0 0 0 0 0 0 0 0 0 0 0 0
51.4600 82.4210 -18.3310 O 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
2 9 1 6 0 0 0
2 3 1 0 0 0 0
2 1 1 0 0 0 0
3 10 1 6 0 0 0
3 4 1 0 0 0 0
4 11 1 1 0 0 0
4 5 1 0 0 0 0
5 6 1 1 0 0 0
7 9 1 0 0 0 0
8 7 1 0 0 0 0
12 5 1 0 0 0 0
13 6 1 0 0 0 0
14 7 2 0 0 0 0
16 15 1 0 0 0 0
16 23 1 1 0 0 0
17 24 1 6 0 0 0
17 16 1 0 0 0 0
18 25 1 6 0 0 0
18 19 1 0 0 0 0
18 17 1 0 0 0 0
19 20 1 1 0 0 0
19 26 1 0 0 0 0
21 28 2 0 0 0 0
22 21 1 0 0 0 0
23 21 1 0 0 0 0
26 15 1 0 0 0 0
27 20 1 0 0 0 0
29 40 1 0 0 0 0
30 37 1 6 0 0 0
30 31 1 0 0 0 0
30 29 1 0 0 0 0
31 38 1 6 0 0 0
31 32 1 0 0 0 0
32 39 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
34 41 1 0 0 0 0
35 42 2 0 0 0 0
35 37 1 0 0 0 0
36 35 1 0 0 0 0
40 33 1 0 0 0 0
43 54 1 0 0 0 0
44 51 1 6 0 0 0
44 45 1 0 0 0 0
44 43 1 0 0 0 0
45 52 1 6 0 0 0
45 46 1 0 0 0 0
46 53 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 1 0 0 0
48 55 1 0 0 0 0
49 56 2 0 0 0 0
49 51 1 0 0 0 0
50 49 1 0 0 0 0
54 47 1 0 0 0 0
57 68 1 0 0 0 0
58 65 1 6 0 0 0
58 57 1 0 0 0 0
59 66 1 1 0 0 0
59 58 1 0 0 0 0
59 60 1 0 0 0 0
60 67 1 6 0 0 0
60 61 1 0 0 0 0
61 68 1 0 0 0 0
61 62 1 1 0 0 0
62 69 1 0 0 0 0
63 64 1 0 0 0 0
65 63 1 0 0 0 0
70 63 2 0 0 0 0
71 82 1 0 0 0 0
72 79 1 6 0 0 0
72 71 1 0 0 0 0
72 73 1 0 0 0 0
73 80 1 1 0 0 0
73 74 1 0 0 0 0
74 81 1 6 0 0 0
75 76 1 1 0 0 0
75 74 1 0 0 0 0
76 83 1 0 0 0 0
77 84 2 0 0 0 0
77 79 1 0 0 0 0
78 77 1 0 0 0 0
82 75 1 0 0 0 0
M END
> <REMARK>
1 CREATED WITH MDTraj 1.9.4, 2020-09-30
> <MODEL>
0
$$$$