0 mol 4 unq 0 iso 0 dist 6.34563 9.80438 7.02535 3.25279 7.77633 8.68164 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.76332 7.84963 11.9461 3.96333 5.18338 11.4782 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.55415 7.17695 4.8515 9.45728 7.61139 7.99756 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 9.55415 7.17695 4.8515 4.76485 6.54552 4.36087 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 9.55415 9.33207 3.51645 9.45728 7.61139 9.86276 numMergedOcc 0
5 mol 20 unq 3 iso 0 dist 9.55415 9.33207 3.51645 4.76485 6.54552 7.09639 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 9.18109 7.36836 15.1968 9.63309 9.45239 10.8657 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 6.34078 8.69574 5.66067 3.81058 9.21833 12.4441 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 6.88786 5.57551 5.37935 6.56256 6.37273 8.19932 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 8.71103 7.06029 8.14479 3.45432 8.0318 9.18411 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 9.22427 6.81449 5.6048 13.5761 8.3656 12.8245 numMergedOcc 0
11 mol 148 unq 1 iso 0 dist 5.55129 6.81449 8.33576 5.4632 5.20262 11.503 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 9.32504 6.87593 5.53516 13.6344 8.44633 12.8352 numMergedOcc 0
13 mol 150 unq 1 iso 0 dist 5.53778 6.87593 8.23832 5.36078 5.21792 11.4447 numMergedOcc 0
14 mol 183 unq 0 iso 0 dist 9.92635 7.16035 10.7786 10.4828 8.41645 15.6569 numMergedOcc 0
15 mol 183 unq 1 iso 0 dist 9.92635 6.2675 14.145 10.4828 8.41645 16.1941 numMergedOcc 0
16 mol 183 unq 2 iso 0 dist 7.85507 9.61725 10.7786 6.77174 8.41645 15.6569 numMergedOcc 0
17 mol 183 unq 3 iso 0 dist 7.85507 9.52042 14.145 6.77174 8.41645 16.1941 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.71223 6.99587 5.56574 3.6848 9.82338 9.17458 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 9.71223 6.99587 5.56574 5.33968 7.99933 6.94594 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 9.71223 4.37577 7.76011 3.6848 9.82338 7.36794 numMergedOcc 0
21 mol 186 unq 3 iso 0 dist 9.71223 4.37577 7.76011 5.33968 7.99933 5.81881 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 7.252 5.05414 9.52346 3.81315 7.578 8.7652 numMergedOcc 0
23 mol 192 unq 1 iso 0 dist 7.252 7.16964 6.78691 3.81315 7.578 10.0838 numMergedOcc 0
24 mol 217 unq 0 iso 0 dist 5.89788 8.99517 5.14933 3.59923 5.27487 8.77705 numMergedOcc 0
25 mol 243 unq 0 iso 0 dist 9.19579 6.46793 12.5873 6.76489 8.07313 9.53137 numMergedOcc 0
26 mol 269 unq 0 iso 0 dist 7.97206 6.72096 4.41005 12.7945 7.92043 11.0007 numMergedOcc 0
27 mol 269 unq 1 iso 0 dist 7.1068 9.18157 4.41005 3.70752 7.92043 11.0007 numMergedOcc 0
28 mol 283 unq 0 iso 0 dist 7.90132 9.35302 7.27864 5.14231 9.4181 13.6064 numMergedOcc 0
29 mol 283 unq 1 iso 0 dist 7.90132 8.85163 13.4741 5.14231 9.4181 11.5443 numMergedOcc 0
