0 mol 28 unq 0 iso 0 dist 7.43758 4.24515 8.24422 5.03315 8.99724 5.89728 numMergedOcc 0
1 mol 28 unq 0 iso 1 dist 7.43758 5.03315 8.99724 4.24515 8.24422 5.89728 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 5.76869 3.98752 8.32948 7.08886 7.43338 5.5471 numMergedOcc 0
3 mol 46 unq 0 iso 1 dist 5.76869 7.08886 7.43338 3.98752 8.32948 5.5471 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 8.34361 14.1632 6.29755 15.4599 7.4038 5.58256 numMergedOcc 0
5 mol 54 unq 0 iso 1 dist 8.34361 15.4599 7.4038 14.1632 6.29755 5.58256 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 7.36255 5.56848 9.94735 4.20743 9.44388 9.38059 numMergedOcc 0
7 mol 56 unq 0 iso 1 dist 7.36255 4.20743 9.44388 5.56848 9.94735 9.38059 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 7.49861 4.69203 5.45684 5.59746 7.66372 4.78627 numMergedOcc 0
9 mol 64 unq 0 iso 1 dist 7.49861 5.59746 7.66372 4.69203 5.45684 4.78627 numMergedOcc 0
10 mol 64 unq 1 iso 0 dist 6.2165 4.69203 7.76644 5.59746 9.99743 4.78627 numMergedOcc 0
11 mol 64 unq 1 iso 1 dist 6.2165 5.59746 9.99743 4.69203 7.76644 4.78627 numMergedOcc 0
12 mol 99 unq 0 iso 0 dist 7.09617 14.3576 9.39801 4.95662 4.82346 9.73996 numMergedOcc 0
13 mol 99 unq 0 iso 1 dist 7.09617 4.95662 4.82346 14.3576 9.39801 9.73996 numMergedOcc 0
14 mol 99 unq 1 iso 0 dist 7.09617 14.3576 9.39801 6.88843 8.89165 10.6378 numMergedOcc 0
15 mol 99 unq 1 iso 1 dist 7.09617 6.88843 8.89165 14.3576 9.39801 10.6378 numMergedOcc 0
16 mol 99 unq 1 iso 0 dist 7.09617 4.95662 4.82346 6.88843 8.89165 4.41001 numMergedOcc 0
17 mol 99 unq 1 iso 1 dist 7.09617 6.88843 8.89165 4.95662 4.82346 4.41001 numMergedOcc 0
18 mol 151 unq 0 iso 0 dist 9.39452 15.0568 7.93343 14.3657 5.89468 4.78271 numMergedOcc 0
19 mol 151 unq 0 iso 1 dist 9.39452 14.3657 5.89468 15.0568 7.93343 4.78271 numMergedOcc 0
20 mol 162 unq 0 iso 0 dist 9.32658 11.9416 7.08934 10.5412 8.87346 4.82565 numMergedOcc 0
21 mol 162 unq 0 iso 1 dist 9.32658 10.5412 8.87346 11.9416 7.08934 4.82565 numMergedOcc 0
22 mol 172 unq 0 iso 0 dist 9.41172 12.9865 9.21942 4.73085 7.44084 13.7364 numMergedOcc 0
23 mol 172 unq 0 iso 1 dist 9.41172 4.73085 7.44084 12.9865 9.21942 13.7364 numMergedOcc 0
24 mol 172 unq 1 iso 0 dist 9.41172 12.9865 9.21942 12.2355 7.77643 16.193 numMergedOcc 0
25 mol 172 unq 1 iso 1 dist 9.41172 12.2355 7.77643 12.9865 9.21942 16.193 numMergedOcc 0
26 mol 172 unq 1 iso 0 dist 9.41172 4.73085 7.44084 12.2355 7.77643 10.1227 numMergedOcc 0
27 mol 172 unq 1 iso 1 dist 9.41172 12.2355 7.77643 4.73085 7.44084 10.1227 numMergedOcc 0
28 mol 172 unq 2 iso 0 dist 8.2809 4.73085 5.28889 12.2355 4.90175 10.1227 numMergedOcc 0
29 mol 172 unq 2 iso 1 dist 8.2809 12.2355 4.90175 4.73085 5.28889 10.1227 numMergedOcc 0
30 mol 240 unq 0 iso 0 dist 7.61364 4.53143 8.40277 3.96088 6.50985 7.08033 numMergedOcc 0
31 mol 240 unq 0 iso 1 dist 7.61364 3.96088 6.50985 4.53143 8.40277 7.08033 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 6.41167 5.66907 8.73425 9.6053 9.65711 5.31174 numMergedOcc 0
33 mol 258 unq 0 iso 1 dist 6.41167 9.6053 9.65711 5.66907 8.73425 5.31174 numMergedOcc 0
34 mol 273 unq 0 iso 0 dist 9.83374 5.87385 7.84151 14.3152 7.85797 12.9925 numMergedOcc 0
35 mol 273 unq 0 iso 1 dist 9.83374 14.3152 7.85797 5.87385 7.84151 12.9925 numMergedOcc 0
36 mol 273 unq 1 iso 0 dist 5.75335 3.92089 7.84151 9.51983 7.85797 12.9925 numMergedOcc 0
37 mol 273 unq 1 iso 1 dist 5.75335 9.51983 7.85797 3.92089 7.84151 12.9925 numMergedOcc 0
38 mol 283 unq 0 iso 0 dist 9.69083 6.50939 6.53354 14.2956 6.93798 8.33312 numMergedOcc 0
39 mol 283 unq 0 iso 1 dist 9.69083 14.2956 6.93798 6.50939 6.53354 8.33312 numMergedOcc 0
40 mol 283 unq 1 iso 0 dist 5.96202 4.89148 6.53354 4.01355 6.93798 8.33312 numMergedOcc 0
41 mol 283 unq 1 iso 1 dist 5.96202 4.01355 6.93798 4.89148 6.53354 8.33312 numMergedOcc 0
42 mol 283 unq 2 iso 0 dist 9.55068 5.57192 6.53354 9.29592 6.93798 8.33312 numMergedOcc 0
43 mol 283 unq 2 iso 1 dist 9.55068 9.29592 6.93798 5.57192 6.53354 8.33312 numMergedOcc 0
