0 mol 20 unq 0 iso 0 dist 8.45034 12.5691 6.29237 10.7036 9.74724 12.9564 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.45034 12.5691 6.29237 10.0419 9.13347 10.9428 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 8.45034 16.0182 9.24286 10.7036 9.74724 15.7788 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 8.45034 16.0182 9.24286 10.0419 9.13347 13.8245 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 9.43487 13.1684 6.41507 3.74516 8.46167 13.3691 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 9.43487 13.1684 6.41507 7.32784 6.13175 12.277 numMergedOcc 0
6 mol 113 unq 2 iso 0 dist 9.43487 13.1684 6.41507 8.46561 4.34107 9.60282 numMergedOcc 0
7 mol 113 unq 3 iso 0 dist 9.43487 8.60362 6.03035 3.74516 8.46167 9.59189 numMergedOcc 0
8 mol 113 unq 4 iso 0 dist 9.43487 8.60362 6.03035 7.32784 6.13175 10.1118 numMergedOcc 0
9 mol 113 unq 5 iso 0 dist 9.43487 8.60362 6.03035 8.46561 4.34107 8.19901 numMergedOcc 0
10 mol 113 unq 6 iso 0 dist 9.97052 9.20774 6.41507 11.4966 8.46167 13.3691 numMergedOcc 0
11 mol 113 unq 7 iso 0 dist 9.97052 9.20774 6.41507 11.9142 6.13175 12.277 numMergedOcc 0
12 mol 113 unq 8 iso 0 dist 9.97052 9.20774 6.41507 9.75283 4.34107 9.60282 numMergedOcc 0
13 mol 113 unq 9 iso 0 dist 9.97052 5.56591 6.03035 11.4966 8.46167 9.59189 numMergedOcc 0
14 mol 113 unq 10 iso 0 dist 9.97052 5.56591 6.03035 11.9142 6.13175 10.1118 numMergedOcc 0
15 mol 113 unq 11 iso 0 dist 9.97052 5.56591 6.03035 9.75283 4.34107 8.19901 numMergedOcc 0
16 mol 113 unq 12 iso 0 dist 7.3324 10.6893 6.41507 13.8072 8.46167 13.3691 numMergedOcc 0
17 mol 113 unq 13 iso 0 dist 7.3324 10.6893 6.41507 8.67805 6.13175 12.277 numMergedOcc 0
18 mol 113 unq 14 iso 0 dist 7.3324 10.6893 6.41507 6.03962 4.34107 9.60282 numMergedOcc 0
19 mol 113 unq 15 iso 0 dist 7.3324 12.0012 6.03035 13.8072 8.46167 9.59189 numMergedOcc 0
20 mol 113 unq 16 iso 0 dist 7.3324 12.0012 6.03035 8.67805 6.13175 10.1118 numMergedOcc 0
21 mol 113 unq 17 iso 0 dist 7.3324 12.0012 6.03035 6.03962 4.34107 8.19901 numMergedOcc 0
22 mol 154 unq 0 iso 0 dist 9.19804 5.58226 9.11555 6.10428 9.82522 10.8387 numMergedOcc 0
23 mol 154 unq 1 iso 0 dist 9.19804 5.58226 9.11555 3.93314 8.50773 6.76318 numMergedOcc 0
24 mol 154 unq 2 iso 0 dist 9.19804 3.781 8.88053 6.10428 9.82522 6.13421 numMergedOcc 0
25 mol 154 unq 3 iso 0 dist 9.19804 3.781 8.88053 3.93314 8.50773 7.24062 numMergedOcc 0
26 mol 157 unq 0 iso 0 dist 9.9803 7.40997 8.61764 9.75069 9.27485 11.4303 numMergedOcc 0
27 mol 158 unq 0 iso 0 dist 9.18848 6.34731 8.41697 3.72916 9.67263 7.53461 numMergedOcc 0
28 mol 158 unq 1 iso 0 dist 9.18848 15.1374 9.2016 3.72916 9.67263 15.3696 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 6.94771 5.06821 9.24563 6.66492 9.63062 11.5667 numMergedOcc 0
30 mol 254 unq 0 iso 0 dist 8.83523 5.06168 9.43831 7.28178 8.07881 11.4758 numMergedOcc 0
31 mol 254 unq 1 iso 0 dist 8.83523 5.06168 9.43831 5.81468 5.44351 8.8967 numMergedOcc 0
32 mol 254 unq 2 iso 0 dist 8.83523 5.06168 9.43831 8.51317 6.34051 10.929 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 7.01175 4.06041 9.0654 12.5701 8.53393 12.9532 numMergedOcc 0
34 mol 266 unq 1 iso 0 dist 7.01175 4.06041 9.0654 12.5076 7.24165 13.7026 numMergedOcc 0
35 mol 266 unq 2 iso 0 dist 7.50074 9.59994 9.0654 15.7607 8.53393 12.9532 numMergedOcc 0
36 mol 266 unq 3 iso 0 dist 7.50074 9.59994 9.0654 14.5235 7.24165 13.7026 numMergedOcc 0
37 mol 283 unq 0 iso 0 dist 7.81415 3.77125 8.47034 15.5185 9.74797 13.7144 numMergedOcc 0
38 mol 283 unq 1 iso 0 dist 7.81415 3.77125 8.47034 6.35533 9.90494 3.12129 numMergedOcc 0
39 mol 283 unq 2 iso 0 dist 7.81415 8.36144 8.57491 15.5185 9.74797 16.5101 numMergedOcc 0
40 mol 283 unq 3 iso 0 dist 7.81415 8.36144 8.57491 6.35533 9.90494 13.5298 numMergedOcc 0
41 mol 286 unq 0 iso 0 dist 9.96295 13.3451 9.2551 8.1401 6.87255 5.83399 numMergedOcc 0
42 mol 286 unq 1 iso 0 dist 8.95266 13.6536 9.2551 9.30848 6.87255 5.83399 numMergedOcc 0
43 mol 287 unq 0 iso 0 dist 6.08044 10.8556 9.62446 7.11108 8.70479 11.4704 numMergedOcc 0
44 mol 287 unq 1 iso 0 dist 6.08044 10.4719 9.99681 7.11108 8.70479 16.9251 numMergedOcc 0
45 mol 287 unq 2 iso 0 dist 8.8956 12.7029 9.62446 13.1778 8.70479 11.4704 numMergedOcc 0
46 mol 287 unq 3 iso 0 dist 8.8956 5.57075 9.99681 13.1778 8.70479 16.9251 numMergedOcc 0
47 mol 288 unq 0 iso 0 dist 6.08044 10.8556 9.62446 7.11108 8.70479 11.4704 numMergedOcc 0
48 mol 288 unq 1 iso 0 dist 6.08044 10.4719 9.99681 7.11108 8.70479 16.9251 numMergedOcc 0
49 mol 288 unq 2 iso 0 dist 8.8956 12.7029 9.62446 13.1778 8.70479 11.4704 numMergedOcc 0
50 mol 288 unq 3 iso 0 dist 8.8956 5.57075 9.99681 13.1778 8.70479 16.9251 numMergedOcc 0
51 mol 289 unq 0 iso 0 dist 6.08044 10.8556 9.62446 7.11108 8.70479 11.4704 numMergedOcc 0
52 mol 289 unq 1 iso 0 dist 6.08044 10.4719 9.99681 7.11108 8.70479 16.9251 numMergedOcc 0
53 mol 289 unq 2 iso 0 dist 8.8956 12.7029 9.62446 13.1778 8.70479 11.4704 numMergedOcc 0
54 mol 289 unq 3 iso 0 dist 8.8956 5.57075 9.99681 13.1778 8.70479 16.9251 numMergedOcc 0
