0 mol 43 unq 0 iso 0 dist 8.03754 14.0204 8.80331 13.1056 6.20293 8.13395 12.8366 5.41726 6.6263 6.75943 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 14.0204 8.80331 8.13395 12.8366 5.41726 6.75943 6.6263 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 9.59988 6.19304 5.4148 12.8474 5.70116 9.73086 7.4369 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.23812 12.8453 9.96396 7.80518 8.70481 14.9342 12.8474 5.70116 9.73086 12.8207 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 7.23812 9.59988 6.19304 12.8453 9.96396 5.4148 13.1768 6.20232 8.68662 12.2276 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 7.23812 9.59988 6.19304 12.8453 9.96396 5.4148 12.8474 5.70116 7.4369 9.73086 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 7.23812 9.59988 6.19304 7.80518 8.70481 13.3558 13.1768 6.20232 8.68662 13.8931 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 7.23812 9.59988 6.19304 7.80518 8.70481 13.3558 12.8474 5.70116 7.4369 12.8207 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 7.23812 7.80518 8.70481 12.8453 9.96396 14.9342 10.4722 11.2069 5.5087 13.3207 numMergedOcc 0
9 mol 73 unq 7 iso 0 dist 7.23812 7.80518 8.70481 12.8453 9.96396 14.9342 12.7709 10.6713 6.08682 14.498 numMergedOcc 0
10 mol 73 unq 8 iso 0 dist 7.23812 7.80518 8.70481 9.59988 6.19304 13.3558 10.4722 11.2069 5.5087 13.8368 numMergedOcc 0
11 mol 73 unq 9 iso 0 dist 7.23812 7.80518 8.70481 9.59988 6.19304 13.3558 12.7709 10.6713 6.08682 14.5999 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 7.11695 14.4144 9.33898 9.54167 9.64443 13.1316 11.295 4.3481 7.06939 12.4681 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 7.11695 9.54167 9.64443 14.4144 9.33898 13.1316 10.9777 5.31547 9.36001 10.9241 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 22.8432 15.6249 8.27883 15.6447 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 21.3539 12.4896 5.75428 14.0772 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 23.6493 14.2178 8.57395 14.1515 numMergedOcc 0
17 mol 95 unq 3 iso 0 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 17.3737 8.78079 9.85409 10.3132 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 5.71475 7.17106 11.5403 11.7018 4.03277 8.91882 10.5432 numMergedOcc 0
19 mol 100 unq 1 iso 0 dist 7.689 14.9329 9.60661 10.3954 9.35224 7.80879 11.7018 4.03277 8.91882 11.5088 numMergedOcc 0
20 mol 100 unq 2 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 13.6554 5.9143 7.82475 11.9928 numMergedOcc 0
21 mol 100 unq 3 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 11.5608 5.47563 5.35782 9.94341 numMergedOcc 0
22 mol 100 unq 4 iso 0 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 13.6554 5.9143 7.82475 10.694 numMergedOcc 0
23 mol 100 unq 5 iso 0 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 11.5608 5.47563 5.35782 9.82522 numMergedOcc 0
24 mol 100 unq 6 iso 0 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 13.6554 5.9143 7.82475 14.966 numMergedOcc 0
25 mol 100 unq 7 iso 0 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 11.5608 5.47563 5.35782 13.4844 numMergedOcc 0
26 mol 100 unq 8 iso 0 dist 9.22737 6.60925 6.65086 12.9061 7.47343 8.8807 13.861 6.23008 8.91882 9.76432 numMergedOcc 0
27 mol 100 unq 9 iso 0 dist 9.22737 6.60925 6.65086 4.95357 6.56369 7.80879 13.861 6.23008 8.91882 11.5088 numMergedOcc 0
28 mol 100 unq 10 iso 0 dist 9.22737 6.60925 6.65086 5.05858 9.30209 5.38414 13.861 6.23008 8.91882 11.6812 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 4.75197 5.83991 7.69052 12.5457 6.63111 6.39384 9.42082 numMergedOcc 0
30 mol 115 unq 1 iso 0 dist 7.9258 4.75197 5.83991 10.9791 9.33865 7.69052 7.84768 4.48636 7.69765 13.4105 numMergedOcc 0
31 mol 115 unq 2 iso 0 dist 7.9258 4.75197 5.83991 10.9791 9.33865 7.69052 12.5457 6.63111 9.42082 6.39384 numMergedOcc 0
32 mol 129 unq 0 iso 0 dist 9.1987 10.4463 8.54584 7.40266 8.53613 4.61027 14.8046 12.1739 5.51197 9.97604 numMergedOcc 0
33 mol 129 unq 1 iso 0 dist 9.1987 10.4463 8.54584 7.40266 8.53613 4.61027 11.9391 5.63254 8.86944 11.1246 numMergedOcc 0
34 mol 129 unq 2 iso 0 dist 9.1987 10.4463 8.54584 7.40266 8.53613 4.61027 14.4301 8.26896 6.69691 10.5979 numMergedOcc 0
35 mol 133 unq 0 iso 0 dist 9.47554 9.67676 8.00618 5.34829 7.11802 8.18495 10.3522 15.0115 8.77023 12.5855 numMergedOcc 0
36 mol 134 unq 0 iso 0 dist 8.86784 6.65283 6.49416 5.15251 6.54501 5.00526 15.2447 12.3479 9.33094 11.2896 numMergedOcc 0
37 mol 134 unq 1 iso 0 dist 9.16358 10.0911 8.94367 9.66197 9.86662 6.81259 14.33 7.41373 9.33094 8.69531 numMergedOcc 0
38 mol 134 unq 2 iso 0 dist 9.16358 9.66197 9.86662 10.0911 8.94367 6.81259 17.7356 12.8086 9.1998 11.0808 numMergedOcc 0
39 mol 134 unq 3 iso 0 dist 9.16358 9.66197 9.86662 10.0911 8.94367 6.81259 14.33 7.41373 8.69531 9.33094 numMergedOcc 0
40 mol 134 unq 4 iso 0 dist 6.48328 10.0911 6.37586 9.66197 9.71307 6.81259 14.33 10.8635 9.33094 8.69531 numMergedOcc 0
41 mol 134 unq 5 iso 0 dist 6.48328 9.66197 9.71307 10.0911 6.37586 6.81259 17.7356 15.0225 9.1998 11.0808 numMergedOcc 0
42 mol 134 unq 6 iso 0 dist 6.48328 9.66197 9.71307 10.0911 6.37586 6.81259 14.33 10.8635 8.69531 9.33094 numMergedOcc 0
43 mol 152 unq 0 iso 0 dist 8.41774 13.1435 8.56324 13.793 6.70283 7.65448 12.9285 5.39112 6.59889 6.70693 numMergedOcc 0
44 mol 152 unq 1 iso 0 dist 8.41774 13.1435 8.56324 13.793 6.70283 7.65448 11.2309 4.84714 8.9192 9.27706 numMergedOcc 0
45 mol 152 unq 2 iso 0 dist 8.41774 13.1435 8.56324 11.2124 7.16148 10.6875 12.9285 5.39112 6.59889 10.4895 numMergedOcc 0
46 mol 152 unq 3 iso 0 dist 8.41774 13.1435 8.56324 11.2124 7.16148 10.6875 11.2309 4.84714 8.9192 11.6735 numMergedOcc 0
47 mol 152 unq 4 iso 0 dist 8.41774 13.793 6.70283 13.1435 8.56324 7.65448 12.9285 5.39112 6.70693 6.59889 numMergedOcc 0
48 mol 152 unq 5 iso 0 dist 8.41774 13.793 6.70283 11.2124 7.16148 5.49936 12.9285 5.39112 6.70693 10.4895 numMergedOcc 0
49 mol 178 unq 0 iso 0 dist 9.63185 14.4816 6.69288 10.2893 6.43573 5.34677 14.7977 6.42973 7.06025 10.0638 numMergedOcc 0
50 mol 178 unq 1 iso 0 dist 9.63185 14.4816 6.69288 9.7684 7.17202 11.7381 14.7977 6.42973 7.06025 13.2692 numMergedOcc 0
51 mol 178 unq 2 iso 0 dist 9.63185 14.4816 6.69288 5.37264 8.81551 14.0703 14.7977 6.42973 7.06025 15.0672 numMergedOcc 0
52 mol 224 unq 0 iso 0 dist 8.80858 4.46743 6.65832 4.93626 6.60589 6.77699 10.0366 5.76843 6.99769 8.79428 numMergedOcc 0
53 mol 224 unq 1 iso 0 dist 8.80858 4.46743 6.65832 11.8641 9.16166 11.328 10.0366 5.76843 6.99769 6.8692 numMergedOcc 0
54 mol 224 unq 2 iso 0 dist 8.80858 4.93626 6.60589 4.46743 6.65832 6.77699 10.0366 5.76843 8.79428 6.99769 numMergedOcc 0
55 mol 224 unq 3 iso 0 dist 8.80858 4.93626 6.60589 11.8641 9.16166 8.49799 10.0366 5.76843 8.79428 6.8692 numMergedOcc 0
56 mol 224 unq 4 iso 0 dist 8.80858 11.8641 9.16166 4.46743 6.65832 11.328 10.0366 5.76843 6.8692 6.99769 numMergedOcc 0
57 mol 224 unq 5 iso 0 dist 8.80858 11.8641 9.16166 4.93626 6.60589 8.49799 10.0366 5.76843 6.8692 8.79428 numMergedOcc 0
58 mol 229 unq 0 iso 0 dist 8.83023 9.15968 7.03423 10.6678 9.06952 6.84129 14.0673 7.22525 7.27993 11.9869 numMergedOcc 0
59 mol 236 unq 0 iso 0 dist 6.61371 9.63949 7.68742 5.03564 6.84306 7.28249 11.3386 4.89609 9.3206 10.1317 numMergedOcc 0
60 mol 236 unq 1 iso 0 dist 5.90804 7.45579 6.27581 13.6195 9.99038 7.28249 10.2767 10.5774 9.3206 10.1317 numMergedOcc 0
