0 mol 43 unq 0 iso 0 dist 9.16827 7.23774 5.73819 14.0086 9.07906 8.42544 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.16827 12.092 6.20293 14.0086 9.07906 6.09486 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 9.16827 10.7423 8.93915 14.0086 9.07906 4.40385 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 7.51978 10.6355 9.5589 15.4023 8.58658 14.436 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 7.51978 6.43082 6.83299 15.4023 8.58658 14.3129 numMergedOcc 0
5 mol 54 unq 2 iso 0 dist 7.51978 11.7347 8.10861 15.4023 8.58658 7.98156 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 6.05043 6.40193 7.27724 8.96635 8.69749 14.2706 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 6.05043 6.40193 7.27724 7.00682 5.96576 11.0946 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.32004 6.92096 9.87172 7.84809 8.20715 4.55137 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 9.79448 7.78467 8.14887 13.5206 8.82676 6.3084 numMergedOcc 0
10 mol 127 unq 1 iso 0 dist 9.79448 6.02237 9.30299 13.5206 8.82676 12.4721 numMergedOcc 0
11 mol 132 unq 0 iso 0 dist 9.0339 15.9368 7.7059 11.5151 5.36351 6.6218 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 6.64164 5.361 9.87651 6.52044 5.72735 6.38496 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 6.01118 9.73148 6.69288 11.5409 8.4173 4.43082 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 6.31492 7.48422 9.31746 13.1909 9.07173 9.87473 numMergedOcc 0
15 mol 182 unq 1 iso 0 dist 7.8621 6.98787 9.31746 4.11556 9.07173 9.87473 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.03567 8.18892 9.70748 6.16624 9.83935 13.3944 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 8.03567 8.339 7.54065 6.16624 9.83935 4.527 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 8.03567 12.2966 8.87694 6.16624 9.83935 9.6018 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 7.36642 4.87114 6.03031 6.68457 7.23959 9.73907 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 7.36642 9.43922 7.26832 6.68457 7.23959 12.3578 numMergedOcc 0
21 mol 205 unq 2 iso 0 dist 7.36642 6.98312 7.80463 6.68457 7.23959 6.06996 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 8.59262 4.38308 8.02137 7.0911 6.11803 7.25848 numMergedOcc 0
23 mol 206 unq 1 iso 0 dist 8.59262 13.472 9.774 7.0911 6.11803 8.77621 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 9.78185 17.5012 8.33025 7.4157 6.38733 12.9824 numMergedOcc 0
25 mol 252 unq 1 iso 0 dist 9.78185 17.5012 8.33025 7.86525 9.64349 15.2956 numMergedOcc 0
26 mol 252 unq 2 iso 0 dist 9.78185 16.8096 9.2288 7.4157 6.38733 9.78504 numMergedOcc 0
27 mol 252 unq 3 iso 0 dist 9.78185 16.8096 9.2288 7.86525 9.64349 11.8272 numMergedOcc 0
28 mol 252 unq 4 iso 0 dist 9.78185 6.79692 7.19638 7.4157 6.38733 3.6688 numMergedOcc 0
29 mol 252 unq 5 iso 0 dist 9.78185 6.79692 7.19638 7.86525 9.64349 6.57801 numMergedOcc 0
30 mol 265 unq 0 iso 0 dist 4.96568 5.25115 8.4218 5.42814 8.95701 5.78373 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 8.27977 13.1217 9.70696 9.09953 7.83245 6.36192 numMergedOcc 0
