0 mol 2 unq 0 iso 0 dist 9.02628 6.89072 3.51035 9.5866 10.3327 8.3726 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 8.58588 7.25138 9.92911 11.1544 13.9159 7.01397 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 6.26491 9.40699 9.8511 12.0479 16.0024 8.73208 numMergedOcc 0
3 mol 88 unq 1 iso 0 dist 6.26491 9.40699 9.8511 9.40927 12.9239 5.60174 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 4.98783 7.29864 7.64986 14.7098 12.7317 9.60046 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 8.55124 5.10693 7.41642 4.1947 12.7036 8.24402 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 8.55124 6.58814 6.51388 9.45097 12.5054 9.44156 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 8.55124 6.13459 10.4066 4.1947 12.7036 7.14241 numMergedOcc 0
8 mol 99 unq 0 iso 0 dist 7.09617 7.80019 9.92636 7.57523 14.5217 9.98601 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 9.90594 8.83822 4.36262 8.23429 12.9603 9.13689 numMergedOcc 0
10 mol 180 unq 0 iso 0 dist 9.26812 6.91244 8.6624 8.4055 14.8767 9.48707 numMergedOcc 0
11 mol 185 unq 0 iso 0 dist 7.55408 8.07469 9.67128 4.63469 9.68026 9.44685 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.52322 4.37577 8.70013 7.99002 16.0086 8.35588 numMergedOcc 0
13 mol 244 unq 0 iso 0 dist 8.19381 5.16859 5.2958 8.49995 6.2667 9.07512 numMergedOcc 0
14 mol 244 unq 1 iso 0 dist 8.93421 5.16859 11.2661 8.49995 15.3246 9.07512 numMergedOcc 0
15 mol 244 unq 2 iso 0 dist 7.35657 5.16859 7.64875 8.49995 10.9581 9.07512 numMergedOcc 0
16 mol 244 unq 3 iso 0 dist 6.19605 5.16859 9.20762 8.49995 14.6084 9.07512 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 6.23198 9.46576 12.9904 9.87568 13.9457 4.76164 numMergedOcc 0
18 mol 269 unq 0 iso 0 dist 5.51844 6.72096 4.89258 10.1928 7.76667 9.20068 numMergedOcc 0
19 mol 286 unq 0 iso 0 dist 9.02971 8.87916 7.36907 6.87474 12.0616 6.89373 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 6.33332 7.48987 7.0236 8.43044 13.2129 8.83359 numMergedOcc 0
