0 mol 16 unq 0 iso 0 dist 7.03948 6.42835 9.87867 6.92781 5.47769 11.0298 10.7015 6.58035 15.3667 5.32694 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.03948 6.42835 9.87867 10.7015 6.58035 15.3667 6.92781 5.47769 11.0298 5.32694 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 7.03948 6.57331 4.68733 6.92781 5.47769 8.43054 10.7015 6.58035 11.1513 5.32694 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 7.03948 6.57331 4.68733 10.7015 6.58035 11.1513 6.92781 5.47769 8.43054 5.32694 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 5.47769 8.43054 4.68733 6.92781 7.03948 6.57331 5.32694 6.58035 11.1513 10.7015 numMergedOcc 0
5 mol 16 unq 2 iso 1 dist 5.47769 8.43054 4.68733 5.32694 6.58035 11.1513 6.92781 7.03948 6.57331 10.7015 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 6.34173 9.33906 6.00679 5.24762 7.06308 11.5679 5.101 9.43442 13.9885 5.48601 numMergedOcc 0
7 mol 45 unq 0 iso 1 dist 6.34173 9.33906 6.00679 5.101 9.43442 13.9885 5.24762 7.06308 11.5679 5.48601 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 11.0466 7.58407 18.0198 5.90225 6.31428 13.1897 6.47414 numMergedOcc 0
9 mol 58 unq 0 iso 1 dist 6.40841 8.69057 11.0945 5.90225 6.31428 13.1897 11.0466 7.58407 18.0198 6.47414 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 8.89374 8.96727 14.6599 5.35073 8.63333 13.3281 8.62958 6.46761 14.4498 10.8153 numMergedOcc 0
11 mol 58 unq 1 iso 1 dist 8.89374 8.96727 14.6599 8.62958 6.46761 14.4498 5.35073 8.63333 13.3281 10.8153 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 8.89374 8.96727 14.6599 5.35073 8.63333 13.3281 14.176 9.73139 20.9029 14.5953 numMergedOcc 0
13 mol 58 unq 2 iso 1 dist 8.89374 8.96727 14.6599 14.176 9.73139 20.9029 5.35073 8.63333 13.3281 14.5953 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 8.89374 8.96727 14.6599 8.62958 6.46761 14.4498 14.176 9.73139 20.9029 6.47414 numMergedOcc 0
15 mol 58 unq 2 iso 1 dist 8.89374 8.96727 14.6599 14.176 9.73139 20.9029 8.62958 6.46761 14.4498 6.47414 numMergedOcc 0
16 mol 58 unq 3 iso 0 dist 8.89374 8.01308 9.47022 5.35073 8.63333 11.5155 8.62958 6.46761 10.6166 10.8153 numMergedOcc 0
17 mol 58 unq 3 iso 1 dist 8.89374 8.01308 9.47022 8.62958 6.46761 10.6166 5.35073 8.63333 11.5155 10.8153 numMergedOcc 0
18 mol 58 unq 4 iso 0 dist 8.89374 8.01308 9.47022 5.35073 8.63333 11.5155 14.176 9.73139 16.7574 14.5953 numMergedOcc 0
19 mol 58 unq 4 iso 1 dist 8.89374 8.01308 9.47022 14.176 9.73139 16.7574 5.35073 8.63333 11.5155 14.5953 numMergedOcc 0
20 mol 58 unq 4 iso 0 dist 8.89374 8.01308 9.47022 8.62958 6.46761 10.6166 14.176 9.73139 16.7574 6.47414 numMergedOcc 0
21 mol 58 unq 4 iso 1 dist 8.89374 8.01308 9.47022 14.176 9.73139 16.7574 8.62958 6.46761 10.6166 6.47414 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 8.70133 9.73086 6.15714 7.4697 5.64598 10.9476 5.4148 4.65521 7.4369 5.7113 numMergedOcc 0
23 mol 73 unq 0 iso 1 dist 8.70133 9.73086 6.15714 5.4148 4.65521 7.4369 7.4697 5.64598 10.9476 5.7113 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 4.65521 8.68662 6.10063 5.4148 8.70133 12.2276 5.7113 5.64598 11.6739 7.4697 numMergedOcc 0
25 mol 73 unq 1 iso 1 dist 4.65521 8.68662 6.10063 5.7113 5.64598 11.6739 5.4148 8.70133 12.2276 7.4697 numMergedOcc 0
26 mol 73 unq 2 iso 0 dist 4.65521 7.4369 6.15714 5.4148 8.70133 9.73086 5.7113 5.64598 10.9476 7.4697 numMergedOcc 0
27 mol 73 unq 2 iso 1 dist 4.65521 7.4369 6.15714 5.7113 5.64598 10.9476 5.4148 8.70133 9.73086 7.4697 numMergedOcc 0
28 mol 92 unq 0 iso 0 dist 5.81965 8.3773 7.94489 5.02055 7.06013 12.4353 8.95922 9.70512 11.1432 12.4494 numMergedOcc 0
29 mol 92 unq 0 iso 1 dist 5.81965 8.3773 7.94489 8.95922 9.70512 11.1432 5.02055 7.06013 12.4353 12.4494 numMergedOcc 0
30 mol 127 unq 0 iso 0 dist 6.63981 7.79505 6.15949 6.16471 7.34519 11.5667 4.48524 8.58999 11.7484 5.55757 numMergedOcc 0
31 mol 127 unq 0 iso 1 dist 6.63981 7.79505 6.15949 4.48524 8.58999 11.7484 6.16471 7.34519 11.5667 5.55757 numMergedOcc 0
32 mol 130 unq 0 iso 0 dist 7.66168 9.98797 4.02212 7.01619 6.79146 10.4806 7.50049 6.89257 10.4564 6.83397 numMergedOcc 0
33 mol 130 unq 0 iso 1 dist 7.66168 9.98797 4.02212 7.50049 6.89257 10.4564 7.01619 6.79146 10.4806 6.83397 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 8.79571 7.21868 5.67107 5.49782 5.42582 7.93372 8.80819 8.6355 11.988 5.00817 numMergedOcc 0
35 mol 134 unq 0 iso 1 dist 8.79571 7.21868 5.67107 8.80819 8.6355 11.988 5.49782 5.42582 7.93372 5.00817 numMergedOcc 0
36 mol 134 unq 1 iso 0 dist 5.42582 9.33924 6.0991 5.49782 8.79571 13.9752 5.00817 8.6355 9.55584 8.80819 numMergedOcc 0
37 mol 134 unq 1 iso 1 dist 5.42582 9.33924 6.0991 5.00817 8.6355 9.55584 5.49782 8.79571 13.9752 8.80819 numMergedOcc 0
38 mol 134 unq 2 iso 0 dist 5.42582 7.93372 5.67107 5.49782 8.79571 7.21868 5.00817 8.6355 11.988 8.80819 numMergedOcc 0
39 mol 134 unq 2 iso 1 dist 5.42582 7.93372 5.67107 5.00817 8.6355 11.988 5.49782 8.79571 7.21868 8.80819 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 6.98084 8.19317 4.47008 16.4493 9.58736 11.0129 14.4362 9.43058 12.9086 9.85037 numMergedOcc 0
41 mol 235 unq 0 iso 1 dist 6.98084 8.19317 4.47008 14.4362 9.43058 12.9086 16.4493 9.58736 11.0129 9.85037 numMergedOcc 0
42 mol 235 unq 1 iso 0 dist 6.98084 8.19317 4.47008 16.4493 9.58736 11.0129 11.3519 8.75735 11.8988 13.6669 numMergedOcc 0
43 mol 235 unq 1 iso 1 dist 6.98084 8.19317 4.47008 11.3519 8.75735 11.8988 16.4493 9.58736 11.0129 13.6669 numMergedOcc 0
44 mol 235 unq 2 iso 0 dist 6.98084 8.19317 4.47008 16.4493 9.58736 11.0129 7.218 7.32211 5.1823 15.4 numMergedOcc 0
45 mol 235 unq 2 iso 1 dist 6.98084 8.19317 4.47008 7.218 7.32211 5.1823 16.4493 9.58736 11.0129 15.4 numMergedOcc 0
46 mol 235 unq 1 iso 0 dist 6.98084 8.19317 4.47008 14.4362 9.43058 12.9086 11.3519 8.75735 11.8988 5.52217 numMergedOcc 0
47 mol 235 unq 1 iso 1 dist 6.98084 8.19317 4.47008 11.3519 8.75735 11.8988 14.4362 9.43058 12.9086 5.52217 numMergedOcc 0
48 mol 235 unq 2 iso 0 dist 6.98084 8.19317 4.47008 14.4362 9.43058 12.9086 7.218 7.32211 5.1823 14.4107 numMergedOcc 0
49 mol 235 unq 2 iso 1 dist 6.98084 8.19317 4.47008 7.218 7.32211 5.1823 14.4362 9.43058 12.9086 14.4107 numMergedOcc 0
50 mol 235 unq 2 iso 0 dist 6.98084 8.19317 4.47008 11.3519 8.75735 11.8988 7.218 7.32211 5.1823 11.3789 numMergedOcc 0
51 mol 235 unq 2 iso 1 dist 6.98084 8.19317 4.47008 7.218 7.32211 5.1823 11.3519 8.75735 11.8988 11.3789 numMergedOcc 0
52 mol 235 unq 3 iso 0 dist 6.98084 6.29377 7.34601 16.4493 9.58736 15.1974 14.4362 9.43058 16.6119 9.85037 numMergedOcc 0
53 mol 235 unq 3 iso 1 dist 6.98084 6.29377 7.34601 14.4362 9.43058 16.6119 16.4493 9.58736 15.1974 9.85037 numMergedOcc 0
54 mol 235 unq 4 iso 0 dist 6.98084 6.29377 7.34601 16.4493 9.58736 15.1974 11.3519 8.75735 14.6441 13.6669 numMergedOcc 0
55 mol 235 unq 4 iso 1 dist 6.98084 6.29377 7.34601 11.3519 8.75735 14.6441 16.4493 9.58736 15.1974 13.6669 numMergedOcc 0
56 mol 235 unq 5 iso 0 dist 6.98084 6.29377 7.34601 16.4493 9.58736 15.1974 7.218 7.32211 5.70635 15.4 numMergedOcc 0
57 mol 235 unq 5 iso 1 dist 6.98084 6.29377 7.34601 7.218 7.32211 5.70635 16.4493 9.58736 15.1974 15.4 numMergedOcc 0
58 mol 235 unq 4 iso 0 dist 6.98084 6.29377 7.34601 14.4362 9.43058 16.6119 11.3519 8.75735 14.6441 5.52217 numMergedOcc 0
59 mol 235 unq 4 iso 1 dist 6.98084 6.29377 7.34601 11.3519 8.75735 14.6441 14.4362 9.43058 16.6119 5.52217 numMergedOcc 0
60 mol 235 unq 5 iso 0 dist 6.98084 6.29377 7.34601 14.4362 9.43058 16.6119 7.218 7.32211 5.70635 14.4107 numMergedOcc 0
61 mol 235 unq 5 iso 1 dist 6.98084 6.29377 7.34601 7.218 7.32211 5.70635 14.4362 9.43058 16.6119 14.4107 numMergedOcc 0
62 mol 235 unq 5 iso 0 dist 6.98084 6.29377 7.34601 11.3519 8.75735 14.6441 7.218 7.32211 5.70635 11.3789 numMergedOcc 0
63 mol 235 unq 5 iso 1 dist 6.98084 6.29377 7.34601 7.218 7.32211 5.70635 11.3519 8.75735 14.6441 11.3789 numMergedOcc 0
64 mol 235 unq 6 iso 0 dist 7.32211 5.1823 4.47008 15.4 9.58736 11.0129 14.4107 9.43058 12.9086 9.85037 numMergedOcc 0
65 mol 235 unq 6 iso 1 dist 7.32211 5.1823 4.47008 14.4107 9.43058 12.9086 15.4 9.58736 11.0129 9.85037 numMergedOcc 0
66 mol 235 unq 7 iso 0 dist 7.32211 5.1823 4.47008 15.4 9.58736 11.0129 11.3789 8.75735 11.8988 13.6669 numMergedOcc 0
67 mol 235 unq 7 iso 1 dist 7.32211 5.1823 4.47008 11.3789 8.75735 11.8988 15.4 9.58736 11.0129 13.6669 numMergedOcc 0
68 mol 235 unq 8 iso 0 dist 7.32211 5.1823 4.47008 15.4 9.58736 11.0129 7.218 6.98084 8.19317 16.4493 numMergedOcc 0
69 mol 235 unq 8 iso 1 dist 7.32211 5.1823 4.47008 7.218 6.98084 8.19317 15.4 9.58736 11.0129 16.4493 numMergedOcc 0
70 mol 235 unq 7 iso 0 dist 7.32211 5.1823 4.47008 14.4107 9.43058 12.9086 11.3789 8.75735 11.8988 5.52217 numMergedOcc 0
71 mol 235 unq 7 iso 1 dist 7.32211 5.1823 4.47008 11.3789 8.75735 11.8988 14.4107 9.43058 12.9086 5.52217 numMergedOcc 0
72 mol 235 unq 8 iso 0 dist 7.32211 5.1823 4.47008 14.4107 9.43058 12.9086 7.218 6.98084 8.19317 14.4362 numMergedOcc 0
73 mol 235 unq 8 iso 1 dist 7.32211 5.1823 4.47008 7.218 6.98084 8.19317 14.4107 9.43058 12.9086 14.4362 numMergedOcc 0
74 mol 235 unq 8 iso 0 dist 7.32211 5.1823 4.47008 11.3789 8.75735 11.8988 7.218 6.98084 8.19317 11.3519 numMergedOcc 0
75 mol 235 unq 8 iso 1 dist 7.32211 5.1823 4.47008 7.218 6.98084 8.19317 11.3789 8.75735 11.8988 11.3519 numMergedOcc 0
76 mol 235 unq 9 iso 0 dist 7.32211 5.70635 7.34601 15.4 9.58736 15.1974 14.4107 9.43058 16.6119 9.85037 numMergedOcc 0
77 mol 235 unq 9 iso 1 dist 7.32211 5.70635 7.34601 14.4107 9.43058 16.6119 15.4 9.58736 15.1974 9.85037 numMergedOcc 0
78 mol 235 unq 10 iso 0 dist 7.32211 5.70635 7.34601 15.4 9.58736 15.1974 11.3789 8.75735 14.6441 13.6669 numMergedOcc 0
79 mol 235 unq 10 iso 1 dist 7.32211 5.70635 7.34601 11.3789 8.75735 14.6441 15.4 9.58736 15.1974 13.6669 numMergedOcc 0
80 mol 235 unq 11 iso 0 dist 7.32211 5.70635 7.34601 15.4 9.58736 15.1974 7.218 6.98084 6.29377 16.4493 numMergedOcc 0
81 mol 235 unq 11 iso 1 dist 7.32211 5.70635 7.34601 7.218 6.98084 6.29377 15.4 9.58736 15.1974 16.4493 numMergedOcc 0
82 mol 235 unq 10 iso 0 dist 7.32211 5.70635 7.34601 14.4107 9.43058 16.6119 11.3789 8.75735 14.6441 5.52217 numMergedOcc 0
83 mol 235 unq 10 iso 1 dist 7.32211 5.70635 7.34601 11.3789 8.75735 14.6441 14.4107 9.43058 16.6119 5.52217 numMergedOcc 0
84 mol 235 unq 11 iso 0 dist 7.32211 5.70635 7.34601 14.4107 9.43058 16.6119 7.218 6.98084 6.29377 14.4362 numMergedOcc 0
85 mol 235 unq 11 iso 1 dist 7.32211 5.70635 7.34601 7.218 6.98084 6.29377 14.4107 9.43058 16.6119 14.4362 numMergedOcc 0
86 mol 235 unq 11 iso 0 dist 7.32211 5.70635 7.34601 11.3789 8.75735 14.6441 7.218 6.98084 6.29377 11.3519 numMergedOcc 0
87 mol 235 unq 11 iso 1 dist 7.32211 5.70635 7.34601 7.218 6.98084 6.29377 11.3789 8.75735 14.6441 11.3519 numMergedOcc 0
88 mol 276 unq 0 iso 0 dist 8.76347 8.6759 13.5196 8.88126 9.38971 14.4279 5.50479 8.71541 14.151 8.62129 numMergedOcc 0
89 mol 276 unq 0 iso 1 dist 8.76347 8.6759 13.5196 5.50479 8.71541 14.151 8.88126 9.38971 14.4279 8.62129 numMergedOcc 0
