0 mol 30 unq 0 iso 0 dist 7.2159 8.93093 9.1656 5.80534 5.09775 5.46756 numMergedOcc 0
1 mol 30 unq 0 iso 1 dist 8.93093 7.2159 9.1656 5.80534 5.46756 5.09775 numMergedOcc 0
2 mol 123 unq 0 iso 0 dist 9.28454 7.97266 6.2968 8.30974 5.58056 10.0663 numMergedOcc 0
3 mol 123 unq 0 iso 1 dist 7.97266 9.28454 6.2968 8.30974 10.0663 5.58056 numMergedOcc 0
4 mol 147 unq 0 iso 0 dist 6.00651 8.52428 9.36152 8.76449 6.99467 10.4515 numMergedOcc 0
5 mol 147 unq 0 iso 1 dist 8.52428 6.00651 9.36152 8.76449 10.4515 6.99467 numMergedOcc 0
6 mol 147 unq 1 iso 0 dist 6.00651 8.52428 9.36152 8.36182 4.53687 9.02691 numMergedOcc 0
7 mol 147 unq 1 iso 1 dist 8.52428 6.00651 9.36152 8.36182 9.02691 4.53687 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 6.60739 9.22427 7.64654 6.81449 3.56704 5.6048 numMergedOcc 0
9 mol 148 unq 0 iso 1 dist 9.22427 6.60739 7.64654 6.81449 5.6048 3.56704 numMergedOcc 0
10 mol 148 unq 1 iso 0 dist 6.60739 5.55129 6.00563 6.81449 3.56704 8.33576 numMergedOcc 0
11 mol 148 unq 1 iso 1 dist 5.55129 6.60739 6.00563 6.81449 8.33576 3.56704 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 9.22427 5.55129 12.4819 6.81449 5.6048 8.33576 numMergedOcc 0
13 mol 148 unq 1 iso 1 dist 5.55129 9.22427 12.4819 6.81449 8.33576 5.6048 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 6.71763 9.32504 7.66386 6.87593 3.56413 5.53516 numMergedOcc 0
15 mol 150 unq 0 iso 1 dist 9.32504 6.71763 7.66386 6.87593 5.53516 3.56413 numMergedOcc 0
16 mol 150 unq 1 iso 0 dist 6.71763 5.53778 5.93818 6.87593 3.56413 8.23832 numMergedOcc 0
17 mol 150 unq 1 iso 1 dist 5.53778 6.71763 5.93818 6.87593 8.23832 3.56413 numMergedOcc 0
18 mol 150 unq 1 iso 0 dist 9.32504 5.53778 12.4343 6.87593 5.53516 8.23832 numMergedOcc 0
19 mol 150 unq 1 iso 1 dist 5.53778 9.32504 12.4343 6.87593 8.23832 5.53516 numMergedOcc 0
20 mol 183 unq 0 iso 0 dist 9.86506 7.86724 8.9952 9.61725 16.7354 9.54202 numMergedOcc 0
21 mol 183 unq 0 iso 1 dist 7.86724 9.86506 8.9952 9.61725 9.54202 16.7354 numMergedOcc 0
22 mol 183 unq 1 iso 0 dist 9.86506 7.86724 8.9952 9.52042 13.683 4.96829 numMergedOcc 0
23 mol 183 unq 1 iso 1 dist 7.86724 9.86506 8.9952 9.52042 4.96829 13.683 numMergedOcc 0
24 mol 183 unq 2 iso 0 dist 9.86506 7.85507 15.9375 9.61725 16.7354 10.7786 numMergedOcc 0
25 mol 183 unq 2 iso 1 dist 7.85507 9.86506 15.9375 9.61725 10.7786 16.7354 numMergedOcc 0
26 mol 183 unq 3 iso 0 dist 9.86506 7.85507 15.9375 9.52042 13.683 14.145 numMergedOcc 0
27 mol 183 unq 3 iso 1 dist 7.85507 9.86506 15.9375 9.52042 14.145 13.683 numMergedOcc 0
28 mol 183 unq 4 iso 0 dist 5.83335 9.92635 14.4206 7.16035 9.54202 10.7786 numMergedOcc 0
29 mol 183 unq 4 iso 1 dist 9.92635 5.83335 14.4206 7.16035 10.7786 9.54202 numMergedOcc 0
30 mol 183 unq 5 iso 0 dist 5.83335 9.92635 14.4206 6.2675 4.96829 14.145 numMergedOcc 0
31 mol 183 unq 5 iso 1 dist 9.92635 5.83335 14.4206 6.2675 14.145 4.96829 numMergedOcc 0
32 mol 183 unq 2 iso 0 dist 7.86724 7.85507 14.4206 9.61725 9.54202 10.7786 numMergedOcc 0
33 mol 183 unq 2 iso 1 dist 7.85507 7.86724 14.4206 9.61725 10.7786 9.54202 numMergedOcc 0
34 mol 183 unq 3 iso 0 dist 7.86724 7.85507 14.4206 9.52042 4.96829 14.145 numMergedOcc 0
35 mol 183 unq 3 iso 1 dist 7.85507 7.86724 14.4206 9.52042 14.145 4.96829 numMergedOcc 0
36 mol 250 unq 0 iso 0 dist 8.62074 7.55313 6.91019 9.7302 9.00103 6.63175 numMergedOcc 0
37 mol 250 unq 0 iso 1 dist 7.55313 8.62074 6.91019 9.7302 6.63175 9.00103 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 8.26851 8.14634 5.09461 9.82713 13.8247 9.90818 numMergedOcc 0
39 mol 274 unq 0 iso 1 dist 8.14634 8.26851 5.09461 9.82713 9.90818 13.8247 numMergedOcc 0
40 mol 280 unq 0 iso 0 dist 7.10723 8.01368 9.14734 9.22665 3.76721 8.33181 numMergedOcc 0
41 mol 280 unq 0 iso 1 dist 8.01368 7.10723 9.14734 9.22665 8.33181 3.76721 numMergedOcc 0
42 mol 294 unq 0 iso 0 dist 9.86356 6.42303 12.1381 9.64969 10.2032 5.33113 numMergedOcc 0
43 mol 294 unq 0 iso 1 dist 6.42303 9.86356 12.1381 9.64969 5.33113 10.2032 numMergedOcc 0
