0 mol 20 unq 0 iso 0 dist 9.41097 9.88222 9.39589 4.55074 8.72342 9.27289 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.65191 12.8297 8.70827 3.3598 8.67426 13.0224 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.65191 7.93303 9.12854 3.3598 8.67426 10.0711 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 5.7405 10.4238 6.14538 7.25076 5.27979 7.15034 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 7.88172 12.965 8.80614 11.7255 6.41008 4.59417 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 5.79841 13.8798 9.82915 10.8177 8.04853 11.9949 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 5.79841 13.8798 9.82915 3.88626 6.46549 13.3089 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 4.94406 6.83826 5.78706 11.2684 7.54574 9.53244 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 4.94406 5.0289 7.23884 11.2684 7.54574 9.91282 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 4.94406 9.94628 5.59328 11.2684 7.54574 6.54016 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 4.94406 7.53156 7.5242 11.2684 7.54574 11.2206 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 7.2337 9.30656 5.78706 4.05759 7.54574 9.53244 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 7.2337 12.1337 7.23884 4.05759 7.54574 9.91282 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 7.2337 5.39087 5.59328 4.05759 7.54574 6.54016 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 7.2337 12.2431 7.5242 4.05759 7.54574 11.2206 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 9.86237 12.2044 6.28565 5.98101 8.98175 10.3933 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 8.35864 10.4653 9.97343 6.685 9.38036 6.45283 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 8.35864 15.1845 9.70413 6.685 9.38036 11.3136 numMergedOcc 0
18 mol 141 unq 2 iso 0 dist 9.80549 5.42993 9.87644 4.45608 9.62774 6.80544 numMergedOcc 0
19 mol 196 unq 0 iso 0 dist 9.47404 5.61672 6.70531 5.55109 6.14222 5.93821 numMergedOcc 0
20 mol 196 unq 1 iso 0 dist 9.47404 14.9157 6.86319 5.55109 6.14222 12.4987 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 6.05667 6.4623 5.44002 10.4274 7.13824 4.30308 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 6.86251 11.9319 6.36341 13.1753 7.26232 4.67058 numMergedOcc 0
23 mol 235 unq 1 iso 0 dist 6.86251 5.19684 6.21292 13.1753 7.26232 10.28 numMergedOcc 0
24 mol 235 unq 2 iso 0 dist 6.86251 7.00293 9.21736 13.1753 7.26232 13.783 numMergedOcc 0
25 mol 237 unq 0 iso 0 dist 5.62039 7.42147 9.20822 6.41985 8.95332 7.00249 numMergedOcc 0
26 mol 249 unq 0 iso 0 dist 4.68783 9.82483 5.48118 10.5184 8.76518 10.3504 numMergedOcc 0
27 mol 249 unq 1 iso 0 dist 4.68783 9.54906 7.25858 10.5184 8.76518 10.9925 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 9.02661 17.306 8.52587 9.90818 8.09181 12.5154 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 9.02661 10.2307 6.39866 9.90818 8.09181 4.60007 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 8.9316 5.64519 8.91712 13.9634 9.25759 13.2948 numMergedOcc 0
31 mol 287 unq 1 iso 0 dist 8.9316 12.3119 9.65934 13.9634 9.25759 3.65199 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 8.9316 5.64519 8.91712 13.9634 9.25759 13.2948 numMergedOcc 0
33 mol 288 unq 1 iso 0 dist 8.9316 12.3119 9.65934 13.9634 9.25759 3.65199 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 8.9316 5.64519 8.91712 13.9634 9.25759 13.2948 numMergedOcc 0
35 mol 289 unq 1 iso 0 dist 8.9316 12.3119 9.65934 13.9634 9.25759 3.65199 numMergedOcc 0
36 mol 292 unq 0 iso 0 dist 9.46421 7.70348 9.88863 12.0037 9.373 9.81399 numMergedOcc 0
