0 mol 4 unq 0 iso 0 dist 7.00324 5.09826 7.35416 10.0302 7.14866 7.22113 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 9.62716 5.09826 6.42755 10.0302 5.50517 7.22113 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 6.29581 6.92643 5.86181 14.6448 13.0142 8.67928 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 6.29581 12.586 6.3253 7.77627 3.61632 6.86736 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 6.29581 9.82353 5.80568 7.77627 3.61632 8.17383 numMergedOcc 0
5 mol 20 unq 3 iso 0 dist 5.21143 7.05618 5.86181 15.6248 13.0142 8.67928 numMergedOcc 0
6 mol 20 unq 4 iso 0 dist 5.21143 10.3161 6.3253 6.12382 3.61632 6.86736 numMergedOcc 0
7 mol 20 unq 5 iso 0 dist 5.21143 5.82005 5.80568 6.12382 3.61632 8.17383 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 8.69823 12.6813 8.19993 12.3053 5.69576 5.7898 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.84391 8.30856 8.42878 12.8772 11.5261 5.32751 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.63085 7.37795 5.87084 9.96357 5.06665 9.66687 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 9.63085 7.37795 5.87084 11.4123 7.7998 9.68242 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.85849 6.64576 6.40575 10.8843 5.51309 7.01507 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 6.08299 5.87436 6.40575 6.94623 5.51309 7.01507 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 6.71675 11.5379 7.54099 11.9579 5.9935 9.02161 numMergedOcc 0
15 mol 184 unq 1 iso 0 dist 6.71675 11.5379 7.54099 10.9498 8.11291 8.38137 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 8.25221 8.47522 6.60053 10.0254 7.52403 9.8155 numMergedOcc 0
17 mol 192 unq 1 iso 0 dist 6.64416 8.47522 9.36796 10.0254 6.91699 9.8155 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 8.31182 7.30886 7.00243 10.6342 14.63 9.60449 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 7.64361 9.95264 8.20644 7.89017 6.17749 9.04531 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 9.35785 5.51019 6.73712 8.89904 4.71431 8.83569 numMergedOcc 0
