0 mol 44 unq 0 iso 0 dist 8.27424 7.16036 8.93739 9.5746 15.936 9.6782 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 6.4519 7.16036 6.65149 9.5746 12.4909 9.6782 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 9.89949 7.68916 10.8037 9.04053 15.0634 6.31696 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 8.48295 7.47827 10.2967 3.98211 5.51406 9.30539 numMergedOcc 0
4 mol 91 unq 1 iso 0 dist 8.48295 7.47827 10.2967 6.76611 10.8615 9.01176 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.79055 5.89394 7.17015 10.9738 13.0999 6.95572 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 9.79055 5.89394 7.17015 10.3703 10.7591 7.38677 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 9.28919 5.89394 4.52119 10.9738 9.18898 6.95572 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 9.28919 5.89394 4.52119 10.3703 7.67331 7.38677 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 6.34761 5.87387 5.74067 10.6075 12.1168 6.84011 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 4.38961 5.09114 4.42285 10.5529 11.7617 9.23819 numMergedOcc 0
11 mol 122 unq 1 iso 0 dist 4.38961 5.09114 4.42285 9.32745 11.999 8.88537 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 8.6499 9.7168 12.8573 6.57631 11.0479 9.99156 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 8.6499 9.7168 12.8573 8.40891 9.80819 8.18085 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 8.75339 9.61132 12.8265 6.56068 11.1963 9.8656 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 8.75339 9.61132 12.8265 8.32178 9.81665 7.94889 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 8.73427 7.78695 7.64659 9.00075 15.2092 9.17787 numMergedOcc 0
17 mol 159 unq 1 iso 0 dist 8.73427 7.78695 7.64659 11.6088 15.4591 8.4858 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 8.01303 6.64164 8.66436 10.2539 15.1236 9.67741 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 8.67838 6.07676 4.11061 6.28923 10.5689 6.46704 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 8.67838 6.07676 4.11061 6.10683 6.95568 6.59025 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 6.99474 7.92766 10.6493 15.254 20.0367 9.68728 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 6.99474 6.32652 4.30341 7.65133 10.049 9.1458 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 8.59762 5.52981 4.94196 5.3192 9.68811 6.1951 numMergedOcc 0
24 mol 218 unq 1 iso 0 dist 9.42881 5.52981 11.7195 5.3192 13.472 6.1951 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 6.79839 8.93637 8.0303 12.5597 7.4513 6.59716 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 6.37648 6.49599 7.49016 10.451 14.0408 7.98231 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 6.37648 9.47382 9.84081 10.451 14.0408 7.08526 numMergedOcc 0
28 mol 265 unq 0 iso 0 dist 8.50624 5.81421 7.602 9.59458 11.0563 6.71375 numMergedOcc 0
29 mol 284 unq 0 iso 0 dist 9.00473 9.27402 4.45344 15.7062 11.8674 9.33437 numMergedOcc 0
30 mol 284 unq 1 iso 0 dist 9.00473 9.26573 5.88217 15.7062 11.8674 7.8343 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 9.22345 5.69465 8.04474 11.7781 13.7647 7.07965 numMergedOcc 0
