0 mol 58 unq 0 iso 0 dist 7.13638 4.35705 7.6481 13.3753 13.9773 9.11258 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 7.11013 12.6241 9.63599 12.8424 9.20479 8.01743 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 9.29144 10.9396 6.51395 13.8136 12.0339 9.83981 numMergedOcc 0
3 mol 114 unq 1 iso 0 dist 9.29144 10.9396 6.51395 12.955 7.50948 6.13559 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 6.77398 10.2038 8.84087 11.1338 5.75826 6.32615 numMergedOcc 0
5 mol 134 unq 1 iso 0 dist 6.77398 10.2038 8.84087 11.4499 6.53113 7.73791 numMergedOcc 0
6 mol 134 unq 2 iso 0 dist 6.77398 10.2038 8.84087 10.444 9.10698 6.75145 numMergedOcc 0
7 mol 134 unq 3 iso 0 dist 6.77398 10.2038 8.84087 5.68207 7.12323 8.1856 numMergedOcc 0
8 mol 134 unq 4 iso 0 dist 8.06229 14.42 8.84087 13.4793 5.75826 6.32615 numMergedOcc 0
9 mol 134 unq 5 iso 0 dist 8.06229 14.42 8.84087 14.1116 6.53113 7.73791 numMergedOcc 0
10 mol 134 unq 6 iso 0 dist 8.06229 14.42 8.84087 14.5501 9.10698 6.75145 numMergedOcc 0
11 mol 134 unq 7 iso 0 dist 8.06229 14.42 8.84087 9.87544 7.12323 8.1856 numMergedOcc 0
12 mol 134 unq 8 iso 0 dist 5.68207 10.2038 8.1856 6.77398 7.12323 8.84087 numMergedOcc 0
13 mol 134 unq 9 iso 0 dist 5.68207 10.2038 8.1856 11.1338 9.82847 6.32615 numMergedOcc 0
14 mol 134 unq 10 iso 0 dist 5.68207 10.2038 8.1856 11.4499 8.00678 7.73791 numMergedOcc 0
15 mol 134 unq 11 iso 0 dist 5.68207 10.2038 8.1856 10.444 5.2179 6.75145 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.22583 6.15536 5.97685 12.8564 6.46849 8.9289 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 6.62037 4.19412 5.97685 6.21461 6.46849 8.9289 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 6.21461 4.19412 8.9289 6.62037 6.46849 5.97685 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 4.54491 6.01155 6.44904 11.6608 8.2466 9.75763 numMergedOcc 0
20 mol 184 unq 1 iso 0 dist 4.54491 6.01155 6.44904 10.5135 7.59922 7.0685 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 8.58887 16.018 8.90076 17.4045 12.6844 6.87131 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 8.58887 16.018 8.90076 16.0907 10.9258 8.09718 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 8.58887 14.4465 6.62002 17.4045 12.6844 9.69818 numMergedOcc 0
24 mol 238 unq 3 iso 0 dist 8.58887 14.4465 6.62002 16.0907 10.9258 6.73446 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 5.75996 8.9959 8.08764 12.5637 7.98994 9.01462 numMergedOcc 0
26 mol 239 unq 1 iso 0 dist 7.44932 12.8119 8.08764 14.9369 7.98994 9.01462 numMergedOcc 0
27 mol 243 unq 0 iso 0 dist 8.08534 4.35114 6.66959 11.3633 8.07376 7.12785 numMergedOcc 0
28 mol 250 unq 0 iso 0 dist 9.7235 4.4151 5.97993 10.0061 4.81479 6.44252 numMergedOcc 0
29 mol 280 unq 0 iso 0 dist 7.10608 6.58462 5.80452 7.22993 7.20835 7.82157 numMergedOcc 0
30 mol 280 unq 1 iso 0 dist 7.22993 6.58462 7.82157 7.10608 7.20835 5.80452 numMergedOcc 0
