ATOM 115
1 C1y C 37.3171 -15.8503
2 C1x C 37.3509 -14.4838
3 O2x O 38.4784 -16.5512
4 C1z C 38.5452 -13.8407
5 C1y C 39.6728 -15.9081
6 C1y C 39.7065 -14.5416
7 C1a C 37.6174 -12.8582
8 N1b N 39.5427 -12.9057
9 C1a C 40.8417 -16.6095
10 O1a O 40.9085 -13.8988
11 C1b C 39.9203 -11.5883
12 C8y C 41.2890 -11.6209
13 C8x C 41.9449 -12.8225
14 C8x C 42.0015 -10.4520
15 C8x C 43.3699 -10.4846
16 C8y C 44.0259 -11.6862
17 C8y C 45.3944 -11.7188
18 C8x C 43.3134 -12.8549
19 C8x C 46.0504 -12.9202
20 C8x C 46.1069 -10.5499
21 C8x C 47.4754 -10.5825
22 C8y C 48.1316 -11.7839
23 C8x C 47.4191 -12.9528
24 X Cl 49.5001 -11.8165
25 C8y C 36.1088 -24.2283
26 C8y C 34.9234 -24.8948
27 C8y C 37.2799 -24.9132
28 O2a O 36.1162 -22.8688
29 C8x C 34.9159 -26.2620
30 O2x O 33.7601 -24.2099
31 C8x C 37.2725 -26.2727
32 O2x O 38.4725 -24.2616
33 C1y C 37.2462 -21.0833
34 C8y C 36.0941 -26.9547
35 C8y C 32.5669 -24.8768
36 C8y C 39.6511 -24.9467
37 C1y C 37.2611 -19.7166
38 O2x O 38.4243 -21.7759
39 C1y C 36.1169 -28.3370
40 C8x C 32.5520 -26.2361
41 C8y C 31.3962 -24.1917
42 C8y C 40.8365 -24.2874
43 C8x C 39.6436 -26.3139
44 O2a O 35.6663 -17.8242
45 C1y C 38.4394 -19.0343
46 C1y C 39.6176 -21.0942
47 C5x C 34.9387 -29.0114
48 N1x N 37.2799 -29.0296
49 C8x C 31.3664 -26.9105
50 C8x C 30.2183 -24.8510
51 C8x C 42.0074 -24.9649
52 X Cl 40.8590 -22.9279
53 C8x C 40.8218 -27.0064
54 C1y C 39.6252 -19.7196
55 O1a O 38.4615 -17.6827
56 C1b C 40.7957 -21.8019
57 N1x N 33.7606 -28.3112
58 O5x O 34.9313 -30.3709
59 C5x C 38.4657 -28.3552
60 C8y C 30.2034 -26.2105
61 C8y C 41.9999 -26.3244
62 O1a O 40.8183 -19.0680
63 O1a O 42.1550 -21.8245
64 C1y C 32.5824 -28.9858
65 C1y C 39.6364 -29.0478
66 O5x O 38.4880 -26.9959
67 C1y C 29.0250 -26.8923
68 C1y C 43.1781 -27.0321
69 C8y C 32.5601 -30.3451
70 C5x C 31.4117 -28.2932
71 N1x N 40.8220 -28.3734
72 C1b C 38.4508 -29.7221
73 C1y C 29.0178 -28.2593
74 O1a O 27.8545 -26.1923
75 C1y C 43.1706 -28.3916
76 O1a O 44.3713 -26.3656
77 C8x C 31.3743 -31.0120
78 C8x C 33.7382 -31.0378
79 N1x N 30.2261 -28.9676
80 O5x O 30.4322 -27.3836
81 C5x C 41.9850 -29.0659
82 C5a C 38.4434 -31.0816
83 C5x C 27.8320 -28.9336
84 N1b N 44.3490 -29.0841
85 C8y C 31.3594 -32.3787
86 C8x C 33.7233 -32.3973
87 O5x O 41.9780 -30.4254
88 N1a N 39.6215 -31.7744
89 O5a O 37.2578 -31.7560
90 N1x N 27.8247 -30.2931
91 O5x O 26.6615 -28.2336
92 C5a C 45.5346 -28.4248
93 C8y C 30.1666 -33.0305
94 C8y C 32.5378 -33.0717
95 C1y C 29.0031 -30.9859
96 C1c C 46.7053 -29.1176
97 O5a O 45.5569 -27.0658
98 C8y C 28.9957 -32.3454
99 C8y C 30.1591 -34.3975
100 O1a O 32.5303 -34.4387
101 C6a C 26.7079 -32.2674
102 C1b C 46.6978 -30.4771
103 N1b N 47.8983 -28.4586
104 C8x C 27.8101 -33.0198
105 C8x C 28.9810 -35.0719
106 O1a O 31.3373 -35.0977
107 O6a O 25.3486 -32.2526
108 O6a O 26.7005 -33.6269
109 C1c C 45.5199 -31.1515
110 C1a C 49.0767 -29.1511
111 C8y C 27.8026 -34.3867
112 C1a C 43.8662 -31.1033
113 C1a C 45.5125 -32.5110
114 O1a O 26.6245 -35.0688
115 X Cl 31.4101 -22.8201
BOND 126
1 4 7 1 #Up
2 16 17 1
3 4 8 1 #Down
4 16 18 2
5 5 9 1 #Down
6 17 19 2
7 6 10 1 #Down
8 17 20 1
9 5 6 1
10 20 21 2
11 21 22 1
12 8 11 1
13 22 23 2
14 19 23 1
15 1 2 1
16 22 24 1
17 11 12 1
18 1 3 1
19 12 13 2
20 2 4 1
21 12 14 1
22 3 5 1
23 14 15 2
24 13 18 1
25 4 6 1
26 15 16 1
27 25 26 1
28 25 27 2
29 25 28 1
30 26 29 2
31 26 30 1
32 27 31 1
33 27 32 1
34 33 28 1 #Up
35 29 34 1
36 30 35 1
37 32 36 1
38 33 37 1
39 33 38 1
40 34 39 1
41 35 40 1
42 35 41 2
43 36 42 1
44 36 43 2
45 37 44 1 #Down
46 37 45 1
47 38 46 1
48 39 47 1
49 39 48 1 #Up
50 40 49 2
51 41 50 1
52 42 51 2
53 42 52 1
54 43 53 1
55 45 54 1
56 45 55 1 #Up
57 46 56 1 #Up
58 47 57 1
59 47 58 2
60 48 59 1
61 49 60 1
62 51 61 1
63 54 62 1 #Down
64 56 63 1
65 64 57 1 #Down
66 59 65 1
67 59 66 2
68 60 67 1
69 61 68 1
70 64 69 1
71 64 70 1
72 65 71 1
73 65 72 1 #Up
74 67 73 1
75 67 74 1 #Down
76 68 75 1
77 68 76 1 #Up
78 69 77 1
79 69 78 2
80 70 79 1
81 70 80 2
82 71 81 1
83 72 82 1
84 73 83 1
85 75 84 1 #Up
86 77 85 2
87 78 86 1
88 81 87 2
89 82 88 1
90 82 89 2
91 83 90 1
92 83 91 2
93 84 92 1
94 85 93 1
95 85 94 1
96 90 95 1
97 92 96 1
98 92 97 2
99 93 98 2
100 93 99 1
101 94 100 1
102 95 101 1 #Down
103 96 102 1
104 96 103 1 #Down
105 98 104 1
106 99 105 2
107 99 106 1
108 101 107 1
109 101 108 2
110 102 109 1
111 103 110 1
112 104 111 2
113 109 112 1
114 109 113 1
115 111 114 1
116 31 34 2
117 46 54 1
118 50 60 2
119 53 61 2
120 73 79 1 #Down
121 81 75 1
122 86 94 2
123 95 98 1
124 105 111 1
125 1 44 1 #Up
126 41 115 1
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