ATOM 59
1 C1z C 32.1274 -20.5383
2 C1y C 33.2170 -19.8573
3 C1y C 32.1274 -21.7641
4 C1x C 31.3102 -19.4487
5 C1z C 34.3066 -20.5383
6 N1y N 33.2170 -18.5634
7 C1z C 33.2170 -22.4451
8 N1y N 31.0378 -22.4451
9 C8y C 29.9481 -21.7641
10 C1x C 31.9231 -18.5634
11 C1y C 34.3066 -21.7641
12 C2x C 35.4643 -19.8573
13 C1b C 35.3962 -21.1512
14 C1x C 34.3066 -17.9504
15 C7a C 34.1023 -23.5347
16 O1a O 32.7403 -24.2838
17 C1a C 31.0378 -23.7390
18 O7a O 37.5755 -23.0580
19 C2x C 35.4643 -18.5634
20 C1a C 36.4858 -20.5383
21 O7a O 34.1023 -24.8286
22 O6a O 35.3962 -23.0580
23 C1a C 35.2600 -25.5097
24 C1a C 39.9590 -23.0580
25 C7a C 38.7332 -22.3770
26 O6a O 38.7332 -21.0150
27 C8y C 29.9481 -20.5383
28 C8x C 28.8585 -19.9254
29 C8x C 28.8585 -22.4451
30 C8y C 27.7689 -20.5383
31 C8y C 27.7689 -21.8322
32 C1z C 24.7725 -18.4272
33 O2a O 26.6793 -22.4451
34 C8y C 23.6828 -17.6780
35 C1x C 25.9983 -17.6780
36 C7a C 24.4320 -19.6530
37 C1a C 25.5897 -21.8322
38 C8y C 23.6828 -16.3160
39 N4x N 22.5932 -18.2909
40 C1y C 25.9983 -16.4522
41 O7a O 23.0018 -20.1297
42 O6a O 25.2492 -20.6745
43 C8y C 21.4355 -16.3160
44 C1x C 22.9337 -15.2264
45 C8y C 21.4355 -17.6780
46 C1x C 24.9087 -15.8393
47 C1a C 22.1846 -21.4917
48 C8x C 20.2778 -15.7031
49 C1x C 23.6828 -14.2730
50 C8x C 20.2778 -18.2909
51 N1y N 24.9087 -14.6135
52 C8x C 19.2563 -16.3160
53 C8x C 19.2563 -17.6780
54 C1x C 25.9983 -13.8644
55 C1z C 27.0879 -14.4773
56 C1x C 27.0879 -15.6350
57 O1a O 28.3137 -13.7963
58 C1b C 28.2674 -15.1583
59 C1a C 28.2675 -16.5201
BOND 67
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 10 1
9 5 11 1
10 5 12 1
11 5 13 1 #Down
12 6 14 1
13 7 15 1 #Down
14 7 16 1 #Up
15 8 17 1
16 11 18 1 #Up
17 12 19 2
18 13 20 1
19 15 21 1
20 6 10 1
21 7 11 1
22 8 9 1
23 14 19 1
24 15 22 2
25 21 23 1
26 24 25 1
27 18 25 1
28 25 26 2
29 27 28 1
30 9 29 1
31 28 30 2
32 29 31 2
33 32 30 1
34 31 33 1
35 32 34 1
36 32 35 1
37 32 36 1 #Up
38 33 37 1
39 34 38 2
40 34 39 1
41 35 40 1
42 36 41 1
43 36 42 2
44 38 43 1
45 38 44 1
46 39 45 1
47 40 46 1 #Down
48 40 56 1
49 41 47 1
50 43 48 1
51 44 49 1
52 45 50 1
53 51 46 1 #Down
54 48 52 2
55 50 53 2
56 51 54 1
57 30 31 1
58 43 45 2
59 49 51 1
60 55 54 1
61 52 53 1
62 55 56 1
63 55 57 1 #Down
64 27 1 1
65 27 9 2
66 55 58 1 #Up
67 58 59 1
|