ATOM 83
1 C1y C 8.3647 -17.7305
2 C1y C 9.5515 -17.0324
3 C1b C 10.8081 -17.7305
4 C1z C 11.9949 -17.0324
5 C1x C 13.1817 -17.7305
6 C1y C 11.9949 -15.6362
7 O2x O 14.3684 -17.0324
8 C1y C 13.1817 -14.9381
9 C1y C 14.3684 -15.6362
10 O1a O 10.8081 -14.9381
11 O1a O 13.1817 -13.3325
12 C1b C 15.5552 -14.9381
13 C2c C 16.7420 -15.6362
14 C2b C 17.9288 -14.9381
15 C7a C 19.1156 -15.6362
16 O7a O 20.3721 -14.9381
17 C1b C 21.5589 -15.6362
18 C1b C 22.6759 -14.9381
19 C1b C 23.9325 -15.6362
20 C1b C 25.1193 -14.9381
21 C1b C 26.3060 -15.6362
22 C1b C 27.5626 -14.9381
23 C1a C 16.7420 -17.0324
24 O6a O 19.1156 -17.0324
25 C1b C 28.7494 -15.6362
26 C1b C 29.9362 -14.9381
27 C5a C 31.1230 -15.6362
28 C1c C 7.1780 -17.0324
29 C1c C 5.9912 -17.7305
30 C1a C 4.8044 -17.0324
31 O1a O 5.9912 -19.1267
32 C1a C 7.1780 -15.3570
33 O2x O 8.3647 -16.3343
34 O5a O 31.1230 -16.9626
35 R R 11.9949 -18.4286
36 S2a S 32.6873 -14.7700
37 C1b C 34.1097 -14.9100
38 C1b C 35.3222 -15.6100
39 N1b N 36.5346 -14.9100
40 C5a C 37.7470 -15.6100
41 C1b C 38.9595 -14.9100
42 C1b C 40.1719 -15.6100
43 N1b N 41.3844 -14.9100
44 C5a C 42.5968 -15.6100
45 C1c C 43.8092 -14.9100
46 C1d C 45.0217 -15.6100
47 C1b C 46.2341 -14.9100
48 O2b O 47.4465 -15.6100
49 O5a O 37.7470 -17.0099
50 O5a O 42.5968 -17.0096
51 O1a O 43.8092 -13.5100
52 C1a C 45.0217 -14.2100
53 C1a C 45.0217 -17.0100
54 P1b P 48.8465 -15.6100
55 O1c O 50.2465 -15.6100
56 O1c O 48.8465 -17.0100
57 C1y C 42.3500 -10.6400
58 C1y C 43.7500 -10.6400
59 C1y C 44.1826 -9.3085
60 O2x O 43.0500 -8.4856
61 C1y C 41.9174 -9.3085
62 C1b C 45.5022 -8.8797
63 O1a O 41.5271 -11.7726
64 O2b O 44.5729 -11.7726
65 P1b P 45.9729 -11.7726
66 O1c O 45.9729 -10.3726
67 O1c O 47.3729 -11.7726
68 O1c O 45.9729 -13.1726
69 C8y C 37.8000 -7.4900
70 C8y C 37.8000 -8.8900
71 N4y N 40.2249 -8.8900
72 C8x C 40.2249 -7.4900
73 N5x N 39.0124 -6.7900
74 C8y C 36.5876 -6.7900
75 N5x N 35.3751 -7.4900
76 C8x C 35.3751 -8.8900
77 N5x N 36.5876 -9.5900
78 N1a N 36.5876 -5.3902
79 O2b O 47.4845 -9.3120
80 P1b P 48.8845 -9.3120
81 O1c O 48.8845 -7.9120
82 O1c O 50.2845 -9.3120
83 O2c O 48.8845 -12.5320
BOND 87
1 1 2 1
2 2 3 1
3 4 3 1 #Down
4 4 5 1
5 4 6 1
6 5 7 1
7 6 8 1
8 8 9 1
9 9 7 1
10 6 10 1 #Up
11 8 11 1 #Up
12 9 12 1 #Down
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 13 23 1
24 15 24 2
25 22 25 1
26 25 26 1
27 26 27 1
28 1 28 1
29 28 29 1
30 29 30 1
31 29 31 1 #Up
32 28 32 1 #Down
33 1 33 1 #Up
34 2 33 1 #Up
35 27 34 2
36 4 35 1
37 36 37 1
38 37 38 1
39 38 39 1
40 39 40 1
41 40 41 1
42 41 42 1
43 42 43 1
44 43 44 1
45 44 45 1
46 45 46 1
47 46 47 1
48 47 48 1
49 40 49 2
50 44 50 2
51 45 51 1 #Down
52 46 52 1
53 46 53 1
54 48 54 1
55 54 55 2
56 54 56 1
57 57 58 1
58 58 59 1
59 59 60 1
60 60 61 1
61 57 61 1
62 59 62 1 #Down
63 57 63 1 #Up
64 58 64 1 #Up
65 64 65 1
66 65 66 1
67 65 67 1
68 65 68 2
69 69 70 2
70 70 71 1
71 71 72 1
72 72 73 2
73 69 73 1
74 69 74 1
75 74 75 2
76 75 76 1
77 76 77 2
78 70 77 1
79 74 78 1
80 61 71 1 #Down
81 62 79 1
82 79 80 1
83 80 81 1
84 80 82 2
85 80 83 1
86 54 83 1
87 27 36 1
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