0 mol 4 unq 0 iso 0 dist 6.05231 7.00063 9.61247 3.25279 5.51567 5.46803 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.6082 13.5196 8.89682 8.93403 8.47386 6.53849 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 9.24687 4.38241 8.89682 3.70511 8.47386 6.53849 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 6.04611 7.25142 9.68277 3.44873 6.90069 4.83459 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 9.28645 9.10324 9.37708 3.78964 7.77418 5.96497 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 8.85708 8.3896 5.24519 10.2932 8.54233 6.66127 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 8.52322 9.45075 8.40343 3.6848 7.12029 8.06464 numMergedOcc 0
7 mol 186 unq 1 iso 0 dist 8.52322 9.45075 8.40343 5.33968 8.56602 5.21837 numMergedOcc 0
8 mol 207 unq 0 iso 0 dist 7.98453 6.26853 4.55528 9.63192 8.01415 4.43093 numMergedOcc 0
9 mol 207 unq 1 iso 0 dist 7.98453 6.26853 4.55528 5.10056 8.25861 5.15938 numMergedOcc 0
10 mol 207 unq 2 iso 0 dist 7.98453 6.26853 4.55528 3.94578 8.5067 7.6274 numMergedOcc 0
11 mol 211 unq 0 iso 0 dist 6.42375 4.20557 5.42004 5.34054 8.83118 9.299 numMergedOcc 0
12 mol 211 unq 1 iso 0 dist 6.42375 7.9703 7.73993 5.34054 8.83118 4.65967 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 7.71569 8.72971 5.69733 5.47184 6.91906 4.112 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 8.52954 8.47815 7.52696 4.46929 6.50932 5.39025 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 5.16838 5.45575 7.4294 9.54522 6.95658 12.6734 numMergedOcc 0
16 mol 259 unq 1 iso 0 dist 5.16838 10.6997 8.37253 9.54522 6.95658 5.77768 numMergedOcc 0
17 mol 273 unq 0 iso 0 dist 9.83374 11.7549 9.36052 13.0429 8.28809 6.08276 numMergedOcc 0
18 mol 273 unq 1 iso 0 dist 5.75335 7.38837 9.36052 5.19474 8.28809 6.08276 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 6.8693 7.3279 9.30966 11.0896 9.00595 6.35472 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 6.8693 7.3279 9.30966 15.4174 9.40401 13.3483 numMergedOcc 0
21 mol 274 unq 2 iso 0 dist 6.8693 8.62596 5.38704 11.0896 9.00595 3.98545 numMergedOcc 0
22 mol 274 unq 3 iso 0 dist 6.8693 8.62596 5.38704 15.4174 9.40401 7.5856 numMergedOcc 0
23 mol 274 unq 4 iso 0 dist 6.8693 13.2785 8.05503 11.0896 9.00595 6.26815 numMergedOcc 0
24 mol 274 unq 5 iso 0 dist 6.8693 13.2785 8.05503 15.4174 9.40401 5.04738 numMergedOcc 0
25 mol 274 unq 6 iso 0 dist 7.03782 11.0932 8.26695 5.08716 5.64169 7.5856 numMergedOcc 0
26 mol 274 unq 7 iso 0 dist 7.03782 5.66978 5.59151 5.08716 5.64169 5.04738 numMergedOcc 0
27 mol 274 unq 8 iso 0 dist 7.03782 10.88 8.17922 5.08716 5.64169 12.0951 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 4.26671 10.0698 9.047 5.55901 6.16546 12.331 numMergedOcc 0
29 mol 280 unq 1 iso 0 dist 4.26671 11.2544 9.9227 5.55901 6.16546 7.42656 numMergedOcc 0
30 mol 283 unq 0 iso 0 dist 9.69083 12.4856 6.15136 12.9436 8.39635 8.90736 numMergedOcc 0
31 mol 283 unq 1 iso 0 dist 5.96202 5.49773 6.15136 3.77125 8.39635 8.90736 numMergedOcc 0
32 mol 283 unq 2 iso 0 dist 9.55068 5.8402 6.15136 11.2772 8.39635 8.90736 numMergedOcc 0
