0 mol 7 unq 0 iso 0 dist 9.36807 6.1206 7.92429 7.67927 11.2233 4.80709 13.2247 6.36911 9.87885 14.1836 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.36807 7.67927 11.2233 6.1206 7.92429 4.80709 13.2247 6.36911 14.1836 9.87885 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.03948 6.42835 9.87867 6.57331 4.68733 6.09368 6.92781 5.47769 11.0298 8.43054 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 7.03948 6.57331 4.68733 6.42835 9.87867 6.09368 6.92781 5.47769 8.43054 11.0298 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 7.03948 6.42835 9.87867 6.57331 4.68733 6.09368 10.7015 6.58035 15.3667 11.1513 numMergedOcc 0
5 mol 16 unq 1 iso 1 dist 7.03948 6.57331 4.68733 6.42835 9.87867 6.09368 10.7015 6.58035 11.1513 15.3667 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 8.89374 8.96727 14.6599 8.01308 9.47022 6.20884 5.35073 8.63333 13.3281 11.5155 numMergedOcc 0
7 mol 58 unq 0 iso 1 dist 8.89374 8.01308 9.47022 8.96727 14.6599 6.20884 5.35073 8.63333 11.5155 13.3281 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 8.89374 8.96727 14.6599 8.01308 9.47022 6.20884 8.62958 6.46761 14.4498 10.6166 numMergedOcc 0
9 mol 58 unq 1 iso 1 dist 8.89374 8.01308 9.47022 8.96727 14.6599 6.20884 8.62958 6.46761 10.6166 14.4498 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 8.89374 8.96727 14.6599 8.01308 9.47022 6.20884 14.176 9.73139 20.9029 16.7574 numMergedOcc 0
11 mol 58 unq 2 iso 1 dist 8.89374 8.01308 9.47022 8.96727 14.6599 6.20884 14.176 9.73139 16.7574 20.9029 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 4.65521 8.68662 6.10063 7.4369 6.15714 3.30399 5.4148 8.70133 12.2276 9.73086 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 4.65521 7.4369 6.15714 8.68662 6.10063 3.30399 5.4148 8.70133 9.73086 12.2276 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 4.65521 8.68662 6.10063 7.4369 6.15714 3.30399 5.7113 5.64598 11.6739 10.9476 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 4.65521 7.4369 6.15714 8.68662 6.10063 3.30399 5.7113 5.64598 10.9476 11.6739 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 8.66155 7.69765 9.13361 9.42082 6.49835 11.044 7.69052 9.66954 13.4105 6.39384 numMergedOcc 0
17 mol 115 unq 0 iso 1 dist 8.66155 9.42082 6.49835 7.69765 9.13361 11.044 7.69052 9.66954 6.39384 13.4105 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 5.42582 9.33924 6.0991 7.93372 5.67107 11.4107 5.49782 8.79571 13.9752 7.21868 numMergedOcc 0
19 mol 134 unq 0 iso 1 dist 5.42582 7.93372 5.67107 9.33924 6.0991 11.4107 5.49782 8.79571 7.21868 13.9752 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 5.42582 9.33924 6.0991 7.93372 5.67107 11.4107 5.00817 8.6355 9.55584 11.988 numMergedOcc 0
21 mol 134 unq 1 iso 1 dist 5.42582 7.93372 5.67107 9.33924 6.0991 11.4107 5.00817 8.6355 11.988 9.55584 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 8.94837 9.00918 5.58312 7.99477 9.61537 4.87973 7.93571 7.77454 11.0651 12.782 numMergedOcc 0
23 mol 134 unq 2 iso 1 dist 8.94837 7.99477 9.61537 9.00918 5.58312 4.87973 7.93571 7.77454 12.782 11.0651 numMergedOcc 0
24 mol 142 unq 0 iso 0 dist 7.15475 7.81207 5.26247 7.18002 12.2806 13.4681 5.32922 9.07935 6.14151 10.7696 numMergedOcc 0
25 mol 142 unq 0 iso 1 dist 7.15475 7.18002 12.2806 7.81207 5.26247 13.4681 5.32922 9.07935 10.7696 6.14151 numMergedOcc 0
26 mol 184 unq 0 iso 0 dist 9.52936 8.97589 9.68365 5.96423 11.6883 5.33725 5.43299 9.15417 13.121 11.2903 numMergedOcc 0
27 mol 184 unq 0 iso 1 dist 9.52936 5.96423 11.6883 8.97589 9.68365 5.33725 5.43299 9.15417 11.2903 13.121 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 6.98084 8.19317 4.47008 6.29377 7.34601 4.8835 16.4493 9.58736 11.0129 15.1974 numMergedOcc 0
29 mol 235 unq 0 iso 1 dist 6.98084 6.29377 7.34601 8.19317 4.47008 4.8835 16.4493 9.58736 15.1974 11.0129 numMergedOcc 0
30 mol 235 unq 1 iso 0 dist 6.98084 8.19317 4.47008 6.29377 7.34601 4.8835 14.4362 9.43058 12.9086 16.6119 numMergedOcc 0
31 mol 235 unq 1 iso 1 dist 6.98084 6.29377 7.34601 8.19317 4.47008 4.8835 14.4362 9.43058 16.6119 12.9086 numMergedOcc 0
32 mol 235 unq 2 iso 0 dist 6.98084 8.19317 4.47008 6.29377 7.34601 4.8835 11.3519 8.75735 11.8988 14.6441 numMergedOcc 0
33 mol 235 unq 2 iso 1 dist 6.98084 6.29377 7.34601 8.19317 4.47008 4.8835 11.3519 8.75735 14.6441 11.8988 numMergedOcc 0
34 mol 235 unq 3 iso 0 dist 6.98084 8.19317 4.47008 6.29377 7.34601 4.8835 7.218 7.32211 5.1823 5.70635 numMergedOcc 0
35 mol 235 unq 3 iso 1 dist 6.98084 6.29377 7.34601 8.19317 4.47008 4.8835 7.218 7.32211 5.70635 5.1823 numMergedOcc 0
36 mol 235 unq 4 iso 0 dist 7.32211 5.1823 4.47008 5.70635 7.34601 4.8835 15.4 9.58736 11.0129 15.1974 numMergedOcc 0
37 mol 235 unq 4 iso 1 dist 7.32211 5.70635 7.34601 5.1823 4.47008 4.8835 15.4 9.58736 15.1974 11.0129 numMergedOcc 0
38 mol 235 unq 5 iso 0 dist 7.32211 5.1823 4.47008 5.70635 7.34601 4.8835 14.4107 9.43058 12.9086 16.6119 numMergedOcc 0
39 mol 235 unq 5 iso 1 dist 7.32211 5.70635 7.34601 5.1823 4.47008 4.8835 14.4107 9.43058 16.6119 12.9086 numMergedOcc 0
40 mol 235 unq 6 iso 0 dist 7.32211 5.1823 4.47008 5.70635 7.34601 4.8835 11.3789 8.75735 11.8988 14.6441 numMergedOcc 0
41 mol 235 unq 6 iso 1 dist 7.32211 5.70635 7.34601 5.1823 4.47008 4.8835 11.3789 8.75735 14.6441 11.8988 numMergedOcc 0
42 mol 235 unq 7 iso 0 dist 7.32211 5.1823 4.47008 5.70635 7.34601 4.8835 7.218 6.98084 8.19317 6.29377 numMergedOcc 0
43 mol 235 unq 7 iso 1 dist 7.32211 5.70635 7.34601 5.1823 4.47008 4.8835 7.218 6.98084 6.29377 8.19317 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 7.48005 9.63573 9.98303 7.66153 14.0829 10.3051 12.5353 8.37865 17.0253 20.1127 numMergedOcc 0
45 mol 259 unq 0 iso 1 dist 7.48005 7.66153 14.0829 9.63573 9.98303 10.3051 12.5353 8.37865 20.1127 17.0253 numMergedOcc 0
