0 mol 24 unq 0 iso 0 dist 9.65191 12.8297 8.70827 7.93303 9.12854 12.3067 3.3598 8.67426 13.0224 10.0711 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 9.65191 7.93303 9.12854 12.8297 8.70827 12.3067 3.3598 8.67426 10.0711 13.0224 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 4.94406 6.83826 5.78706 5.0289 7.23884 7.51619 11.2684 7.54574 9.53244 9.91282 numMergedOcc 0
3 mol 98 unq 0 iso 1 dist 4.94406 5.0289 7.23884 6.83826 5.78706 7.51619 11.2684 7.54574 9.91282 9.53244 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 4.94406 6.83826 5.78706 9.94628 5.59328 10.6225 11.2684 7.54574 9.53244 6.54016 numMergedOcc 0
5 mol 98 unq 1 iso 1 dist 4.94406 9.94628 5.59328 6.83826 5.78706 10.6225 11.2684 7.54574 6.54016 9.53244 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 4.94406 6.83826 5.78706 7.53156 7.5242 12.7411 11.2684 7.54574 9.53244 11.2206 numMergedOcc 0
7 mol 98 unq 2 iso 1 dist 4.94406 7.53156 7.5242 6.83826 5.78706 12.7411 11.2684 7.54574 11.2206 9.53244 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 4.94406 5.0289 7.23884 9.94628 5.59328 11.4338 11.2684 7.54574 9.91282 6.54016 numMergedOcc 0
9 mol 98 unq 1 iso 1 dist 4.94406 9.94628 5.59328 5.0289 7.23884 11.4338 11.2684 7.54574 6.54016 9.91282 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 4.94406 5.0289 7.23884 7.53156 7.5242 9.30161 11.2684 7.54574 9.91282 11.2206 numMergedOcc 0
11 mol 98 unq 2 iso 1 dist 4.94406 7.53156 7.5242 5.0289 7.23884 9.30161 11.2684 7.54574 11.2206 9.91282 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 4.94406 9.94628 5.59328 7.53156 7.5242 7.72877 11.2684 7.54574 6.54016 11.2206 numMergedOcc 0
13 mol 98 unq 2 iso 1 dist 4.94406 7.53156 7.5242 9.94628 5.59328 7.72877 11.2684 7.54574 11.2206 6.54016 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 7.2337 9.30656 5.78706 12.1337 7.23884 7.51619 4.05759 7.54574 9.53244 9.91282 numMergedOcc 0
15 mol 98 unq 3 iso 1 dist 7.2337 12.1337 7.23884 9.30656 5.78706 7.51619 4.05759 7.54574 9.91282 9.53244 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 7.2337 9.30656 5.78706 5.39087 5.59328 10.6225 4.05759 7.54574 9.53244 6.54016 numMergedOcc 0
17 mol 98 unq 4 iso 1 dist 7.2337 5.39087 5.59328 9.30656 5.78706 10.6225 4.05759 7.54574 6.54016 9.53244 numMergedOcc 0
18 mol 98 unq 5 iso 0 dist 7.2337 9.30656 5.78706 12.2431 7.5242 12.7411 4.05759 7.54574 9.53244 11.2206 numMergedOcc 0
19 mol 98 unq 5 iso 1 dist 7.2337 12.2431 7.5242 9.30656 5.78706 12.7411 4.05759 7.54574 11.2206 9.53244 numMergedOcc 0
20 mol 98 unq 4 iso 0 dist 7.2337 12.1337 7.23884 5.39087 5.59328 11.4338 4.05759 7.54574 9.91282 6.54016 numMergedOcc 0
21 mol 98 unq 4 iso 1 dist 7.2337 5.39087 5.59328 12.1337 7.23884 11.4338 4.05759 7.54574 6.54016 9.91282 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 7.2337 12.1337 7.23884 12.2431 7.5242 9.30161 4.05759 7.54574 9.91282 11.2206 numMergedOcc 0
23 mol 98 unq 5 iso 1 dist 7.2337 12.2431 7.5242 12.1337 7.23884 9.30161 4.05759 7.54574 11.2206 9.91282 numMergedOcc 0
24 mol 98 unq 5 iso 0 dist 7.2337 5.39087 5.59328 12.2431 7.5242 7.72877 4.05759 7.54574 6.54016 11.2206 numMergedOcc 0
25 mol 98 unq 5 iso 1 dist 7.2337 12.2431 7.5242 5.39087 5.59328 7.72877 4.05759 7.54574 11.2206 6.54016 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 8.35864 10.4653 9.97343 15.1845 9.70413 11.4307 6.685 9.38036 6.45283 11.3136 numMergedOcc 0
27 mol 141 unq 0 iso 1 dist 8.35864 15.1845 9.70413 10.4653 9.97343 11.4307 6.685 9.38036 11.3136 6.45283 numMergedOcc 0
28 mol 196 unq 0 iso 0 dist 9.47404 5.61672 6.70531 14.9157 6.86319 10.2747 5.55109 6.14222 5.93821 12.4987 numMergedOcc 0
29 mol 196 unq 0 iso 1 dist 9.47404 14.9157 6.86319 5.61672 6.70531 10.2747 5.55109 6.14222 12.4987 5.93821 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 6.86251 11.9319 6.36341 5.19684 6.21292 8.31875 13.1753 7.26232 4.67058 10.28 numMergedOcc 0
31 mol 235 unq 0 iso 1 dist 6.86251 5.19684 6.21292 11.9319 6.36341 8.31875 13.1753 7.26232 10.28 4.67058 numMergedOcc 0
32 mol 235 unq 1 iso 0 dist 6.86251 11.9319 6.36341 7.00293 9.21736 10.5547 13.1753 7.26232 4.67058 13.783 numMergedOcc 0
33 mol 235 unq 1 iso 1 dist 6.86251 7.00293 9.21736 11.9319 6.36341 10.5547 13.1753 7.26232 13.783 4.67058 numMergedOcc 0
34 mol 235 unq 1 iso 0 dist 6.86251 5.19684 6.21292 7.00293 9.21736 4.53064 13.1753 7.26232 10.28 13.783 numMergedOcc 0
35 mol 235 unq 1 iso 1 dist 6.86251 7.00293 9.21736 5.19684 6.21292 4.53064 13.1753 7.26232 13.783 10.28 numMergedOcc 0
36 mol 249 unq 0 iso 0 dist 4.68783 9.82483 5.48118 9.54906 7.25858 5.3927 10.5184 8.76518 10.3504 10.9925 numMergedOcc 0
37 mol 249 unq 0 iso 1 dist 4.68783 9.54906 7.25858 9.82483 5.48118 5.3927 10.5184 8.76518 10.9925 10.3504 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 9.02661 17.306 8.52587 10.2307 6.39866 11.3308 9.90818 8.09181 12.5154 4.60007 numMergedOcc 0
39 mol 274 unq 0 iso 1 dist 9.02661 10.2307 6.39866 17.306 8.52587 11.3308 9.90818 8.09181 4.60007 12.5154 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 8.9316 5.64519 8.91712 12.3119 9.65934 10.9208 13.9634 9.25759 13.2948 3.65199 numMergedOcc 0
41 mol 287 unq 0 iso 1 dist 8.9316 12.3119 9.65934 5.64519 8.91712 10.9208 13.9634 9.25759 3.65199 13.2948 numMergedOcc 0
42 mol 288 unq 0 iso 0 dist 8.9316 5.64519 8.91712 12.3119 9.65934 10.9208 13.9634 9.25759 13.2948 3.65199 numMergedOcc 0
43 mol 288 unq 0 iso 1 dist 8.9316 12.3119 9.65934 5.64519 8.91712 10.9208 13.9634 9.25759 3.65199 13.2948 numMergedOcc 0
44 mol 289 unq 0 iso 0 dist 8.9316 5.64519 8.91712 12.3119 9.65934 10.9208 13.9634 9.25759 13.2948 3.65199 numMergedOcc 0
45 mol 289 unq 0 iso 1 dist 8.9316 12.3119 9.65934 5.64519 8.91712 10.9208 13.9634 9.25759 3.65199 13.2948 numMergedOcc 0
