ATOM 76
1 C8x C 33.1145 -13.0218
2 C8x C 33.1145 -14.4220
3 C8y C 34.3047 -15.1221
4 C8x C 35.5648 -14.4220
5 C8x C 35.5648 -13.0218
6 C8y C 34.3047 -12.3217
7 O1a O 34.3047 -10.9215
8 C1c C 34.3047 -16.5223
9 C1c C 33.1145 -17.2224
10 O1a O 35.4948 -17.2224
11 C1c C 31.8543 -16.5223
12 N1b N 31.8543 -15.1221
13 C5a C 30.6641 -17.2224
14 N1b N 30.6641 -18.6226
15 O5a O 29.4740 -16.5223
16 C1c C 29.4740 -19.3227
17 C5a C 28.2838 -18.6226
18 C1c C 29.4740 -20.7229
19 C1b C 30.6641 -21.4230
20 O1a O 28.2838 -21.4230
21 C5a C 30.6641 -22.8232
22 O5a O 29.4740 -23.5233
23 N1a N 31.8543 -23.5233
24 N1y N 27.0236 -19.3227
25 C1y C 25.8335 -18.6226
26 O5a O 28.2838 -17.2224
27 C5a C 25.8335 -17.2224
28 O5a O 27.0236 -16.5223
29 C1y C 24.7833 -19.6027
30 C1y C 25.3434 -20.8629
31 C1x C 26.7436 -20.7229
32 N1b N 24.6433 -16.5223
33 C5a C 30.6641 -14.4220
34 C1y C 30.6641 -13.0218
35 N1y N 29.4740 -12.3217
36 C5a C 28.2138 -13.0218
37 C1c C 27.0236 -12.3217
38 O5a O 28.2138 -14.4220
39 C1c C 27.0236 -10.9215
40 C1a C 28.2138 -10.2214
41 O1a O 25.8335 -10.2214
42 C1x C 31.7143 -12.1116
43 C1y C 31.1542 -10.7815
44 C1x C 29.7540 -10.9915
45 O5a O 29.4740 -15.1221
46 O1a O 31.8543 -9.5913
47 N1b N 25.8335 -13.0218
48 C5a C 24.6433 -12.3217
49 C1c C 23.4531 -13.0218
50 O5a O 24.6433 -10.9215
51 N1b N 22.2630 -12.3217
52 C1b C 23.4531 -14.4220
53 C1c C 22.4730 -15.4021
54 C1c C 23.2431 -16.8723
55 O1a O 21.0728 -15.6121
56 O1a O 22.7530 -18.2025
57 O1a O 23.4531 -19.2527
58 C1a C 24.6433 -22.0531
59 O1a O 33.1145 -18.6226
60 C5a C 21.0728 -13.0218
61 C1b C 19.8826 -12.3217
62 O5a O 21.0728 -14.4220
63 C1b C 18.6633 -13.0125
64 C1b C 17.4798 -12.3162
65 C1b C 16.2754 -12.9985
66 C1b C 15.1038 -12.3094
67 C1b C 13.8936 -12.9952
68 C1b C 12.6734 -12.2771
69 C1b C 11.4643 -12.9616
70 C1b C 11.4643 -14.3616
71 C1b C 12.6768 -15.0616
72 C1b C 13.8892 -14.3616
73 C1b C 15.1016 -15.0616
74 C1b C 16.3141 -14.3616
75 C1b C 17.5265 -15.0616
76 C1a C 18.7389 -14.3616
BOND 79
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 3 8 1
9 8 9 1
10 8 10 1 #Down
11 9 11 1
12 11 12 1 #Up
13 11 13 1
14 13 14 1
15 13 15 2
16 16 14 1 #Up
17 16 17 1
18 16 18 1
19 18 19 1
20 18 20 1 #Up
21 19 21 1
22 21 22 2
23 21 23 1
24 17 24 1
25 24 25 1
26 17 26 2
27 25 27 1 #Up
28 27 28 2
29 25 29 1
30 29 30 1
31 30 31 1
32 24 31 1
33 27 32 1
34 12 33 1
35 34 33 1 #Up
36 34 35 1
37 35 36 1
38 36 37 1
39 36 38 2
40 37 39 1
41 39 40 1
42 39 41 1 #Down
43 34 42 1
44 42 43 1
45 43 44 1
46 35 44 1
47 33 45 2
48 43 46 1 #Down
49 37 47 1 #Up
50 47 48 1
51 48 49 1
52 48 50 2
53 49 51 1 #Down
54 49 52 1
55 52 53 1
56 32 54 1
57 53 54 1
58 53 55 1 #Down
59 54 56 1 #Down
60 29 57 1 #Down
61 30 58 1 #Down
62 9 59 1 #Up
63 51 60 1
64 60 61 1
65 60 62 2
66 61 63 1
67 63 64 1
68 64 65 1
69 65 66 1
70 66 67 1
71 67 68 1
72 68 69 1
73 69 70 1
74 70 71 1
75 71 72 1
76 72 73 1
77 73 74 1
78 74 75 1
79 75 76 1
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