0 mol 41 unq 0 iso 0 dist 8.66014 10.646 7.99312 7.13416 8.2183 5.36342 numMergedOcc 0
1 mol 41 unq 0 iso 1 dist 8.66014 7.13416 8.2183 10.646 7.99312 5.36342 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 7.40411 11.5553 7.71095 6.31307 8.84665 12.5396 numMergedOcc 0
3 mol 59 unq 0 iso 1 dist 7.40411 6.31307 8.84665 11.5553 7.71095 12.5396 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 7.40411 11.5553 7.71095 5.76625 8.25513 8.19458 numMergedOcc 0
5 mol 59 unq 1 iso 1 dist 7.40411 5.76625 8.25513 11.5553 7.71095 8.19458 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 7.40411 6.31307 8.84665 5.76625 8.25513 6.40295 numMergedOcc 0
7 mol 59 unq 1 iso 1 dist 7.40411 5.76625 8.25513 6.31307 8.84665 6.40295 numMergedOcc 0
8 mol 60 unq 0 iso 0 dist 7.00844 4.99741 6.65595 5.54608 8.90863 6.54743 numMergedOcc 0
9 mol 60 unq 0 iso 1 dist 7.00844 5.54608 8.90863 4.99741 6.65595 6.54743 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 7.60252 7.54416 8.8178 9.89539 9.96708 10.7394 numMergedOcc 0
11 mol 72 unq 0 iso 1 dist 7.60252 9.89539 9.96708 7.54416 8.8178 10.7394 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.79958 8.55171 9.33898 8.36426 9.64443 13.1316 numMergedOcc 0
13 mol 92 unq 0 iso 1 dist 8.79958 8.36426 9.64443 8.55171 9.33898 13.1316 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 9.18852 16.05 9.33898 5.89198 9.64443 13.1316 numMergedOcc 0
15 mol 92 unq 1 iso 1 dist 9.18852 5.89198 9.64443 16.05 9.33898 13.1316 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 9.90769 11.0096 7.88289 10.3117 9.01083 8.18643 numMergedOcc 0
17 mol 95 unq 0 iso 1 dist 9.90769 10.3117 9.01083 11.0096 7.88289 8.18643 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 6.12086 13.7041 9.03572 11.3093 8.83255 6.59319 numMergedOcc 0
19 mol 95 unq 1 iso 1 dist 6.12086 11.3093 8.83255 13.7041 9.03572 6.59319 numMergedOcc 0
20 mol 95 unq 2 iso 0 dist 6.12086 13.7041 9.03572 4.98369 8.03644 16.6055 numMergedOcc 0
21 mol 95 unq 2 iso 1 dist 6.12086 4.98369 8.03644 13.7041 9.03572 16.6055 numMergedOcc 0
22 mol 95 unq 2 iso 0 dist 6.12086 11.3093 8.83255 4.98369 8.03644 13.8105 numMergedOcc 0
23 mol 95 unq 2 iso 1 dist 6.12086 4.98369 8.03644 11.3093 8.83255 13.8105 numMergedOcc 0
24 mol 95 unq 3 iso 0 dist 7.93544 11.3277 9.03572 5.822 8.83255 6.59319 numMergedOcc 0
25 mol 95 unq 3 iso 1 dist 7.93544 5.822 8.83255 11.3277 9.03572 6.59319 numMergedOcc 0
26 mol 95 unq 4 iso 0 dist 7.93544 11.3277 9.03572 9.11942 8.03644 16.6055 numMergedOcc 0
27 mol 95 unq 4 iso 1 dist 7.93544 9.11942 8.03644 11.3277 9.03572 16.6055 numMergedOcc 0
28 mol 95 unq 4 iso 0 dist 7.93544 5.822 8.83255 9.11942 8.03644 13.8105 numMergedOcc 0
29 mol 95 unq 4 iso 1 dist 7.93544 9.11942 8.03644 5.822 8.83255 13.8105 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 6.2109 11.6923 6.29155 12.4997 6.80239 7.81217 numMergedOcc 0
31 mol 133 unq 0 iso 1 dist 6.2109 12.4997 6.80239 11.6923 6.29155 7.81217 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 6.2109 11.6923 6.29155 10.8963 8.00618 11.965 numMergedOcc 0
33 mol 133 unq 1 iso 1 dist 6.2109 10.8963 8.00618 11.6923 6.29155 11.965 numMergedOcc 0
34 mol 133 unq 1 iso 0 dist 6.2109 12.4997 6.80239 10.8963 8.00618 7.79672 numMergedOcc 0
35 mol 133 unq 1 iso 1 dist 6.2109 10.8963 8.00618 12.4997 6.80239 7.79672 numMergedOcc 0
36 mol 142 unq 0 iso 0 dist 6.90378 8.11604 9.2313 5.39629 7.73169 5.50998 numMergedOcc 0
37 mol 142 unq 0 iso 1 dist 6.90378 5.39629 7.73169 8.11604 9.2313 5.50998 numMergedOcc 0
38 mol 142 unq 1 iso 0 dist 6.90378 8.11604 9.2313 5.4779 8.96657 11.1395 numMergedOcc 0
39 mol 142 unq 1 iso 1 dist 6.90378 5.4779 8.96657 8.11604 9.2313 11.1395 numMergedOcc 0
40 mol 142 unq 1 iso 0 dist 6.90378 5.39629 7.73169 5.4779 8.96657 5.92693 numMergedOcc 0
41 mol 142 unq 1 iso 1 dist 6.90378 5.4779 8.96657 5.39629 7.73169 5.92693 numMergedOcc 0
42 mol 142 unq 2 iso 0 dist 7.01955 8.11604 5.31024 5.39629 7.26382 5.50998 numMergedOcc 0
43 mol 142 unq 2 iso 1 dist 7.01955 5.39629 7.26382 8.11604 5.31024 5.50998 numMergedOcc 0
44 mol 175 unq 0 iso 0 dist 6.94119 12.4052 9.0018 6.11854 7.652 7.42466 numMergedOcc 0
45 mol 175 unq 0 iso 1 dist 6.94119 6.11854 7.652 12.4052 9.0018 7.42466 numMergedOcc 0
46 mol 205 unq 0 iso 0 dist 6.40983 8.48013 6.03031 9.6739 7.26832 7.38516 numMergedOcc 0
47 mol 205 unq 0 iso 1 dist 6.40983 9.6739 7.26832 8.48013 6.03031 7.38516 numMergedOcc 0
48 mol 205 unq 1 iso 0 dist 6.40983 8.48013 6.03031 11.3983 7.80463 8.18714 numMergedOcc 0
49 mol 205 unq 1 iso 1 dist 6.40983 11.3983 7.80463 8.48013 6.03031 8.18714 numMergedOcc 0
50 mol 205 unq 1 iso 0 dist 6.40983 9.6739 7.26832 11.3983 7.80463 13.8543 numMergedOcc 0
51 mol 205 unq 1 iso 1 dist 6.40983 11.3983 7.80463 9.6739 7.26832 13.8543 numMergedOcc 0
52 mol 231 unq 0 iso 0 dist 6.52115 12.4148 7.37839 14.0894 8.40182 4.06055 numMergedOcc 0
53 mol 231 unq 0 iso 1 dist 6.52115 14.0894 8.40182 12.4148 7.37839 4.06055 numMergedOcc 0
54 mol 231 unq 1 iso 0 dist 9.88437 5.20569 7.37839 8.35245 8.40182 4.06055 numMergedOcc 0
55 mol 231 unq 1 iso 1 dist 9.88437 8.35245 8.40182 5.20569 7.37839 4.06055 numMergedOcc 0
56 mol 264 unq 0 iso 0 dist 5.99069 5.68295 9.361 6.99623 6.24356 10.3202 numMergedOcc 0
57 mol 264 unq 0 iso 1 dist 5.99069 6.99623 6.24356 5.68295 9.361 10.3202 numMergedOcc 0
58 mol 272 unq 0 iso 0 dist 5.50002 10.4754 9.97651 12.6468 8.46116 8.12676 numMergedOcc 0
59 mol 272 unq 0 iso 1 dist 5.50002 12.6468 8.46116 10.4754 9.97651 8.12676 numMergedOcc 0
