0 mol 59 unq 0 iso 0 dist 4.67917 8.35477 5.38738 5.96516 9.34271 13.0468 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 7.74131 7.58743 3.45432 6.82396 7.06029 9.18411 numMergedOcc 0
2 mol 79 unq 1 iso 0 dist 7.74131 8.59739 3.80156 7.37828 9.853 12.2964 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 5.96486 5.73799 3.71228 5.82911 9.53663 10.9472 numMergedOcc 0
4 mol 81 unq 1 iso 0 dist 5.96486 8.38883 7.58448 5.82911 9.53663 8.96045 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 9.64281 6.12348 7.09333 3.77247 9.86767 4.30875 numMergedOcc 0
6 mol 154 unq 0 iso 0 dist 7.10223 5.06116 5.18463 11.9194 6.12278 9.92057 numMergedOcc 0
7 mol 168 unq 0 iso 0 dist 9.76722 9.23064 9.43003 7.13766 6.48066 7.0961 numMergedOcc 0
8 mol 168 unq 1 iso 0 dist 9.76722 7.30338 8.01699 7.13766 6.48066 8.21227 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 9.83308 6.27683 7.0638 3.89732 9.58901 4.11374 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 8.44483 6.00783 8.55252 4.24401 7.78577 8.6961 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 8.59783 6.76574 9.74745 14.5273 7.06555 13.9205 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 7.95713 8.8637 3.81315 8.12818 5.05414 8.7652 numMergedOcc 0
13 mol 192 unq 1 iso 0 dist 7.95713 8.8637 3.81315 10.7274 7.16964 10.0838 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 5.29561 9.85909 6.05991 5.28999 9.4726 13.6277 numMergedOcc 0
15 mol 232 unq 1 iso 0 dist 9.16638 9.85909 15.9224 5.28999 9.33969 13.6277 numMergedOcc 0
16 mol 232 unq 2 iso 0 dist 9.16638 9.85909 15.9224 10.1458 7.64079 19.5284 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 7.74693 8.7831 4.98419 9.30391 9.69772 13.1292 numMergedOcc 0
18 mol 233 unq 1 iso 0 dist 7.74693 9.61071 7.08719 9.30391 9.69772 15.7554 numMergedOcc 0
19 mol 233 unq 2 iso 0 dist 7.74693 7.1229 10.7478 9.30391 9.69772 15.88 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 5.30455 4.95855 6.09466 9.58753 6.69951 10.838 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 5.30455 7.72489 7.9016 9.58753 6.69951 13.4634 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 8.36393 7.81241 5.14231 15.5185 9.35302 13.6064 numMergedOcc 0
23 mol 283 unq 1 iso 0 dist 8.36393 7.81241 5.14231 6.35533 8.85163 11.5443 numMergedOcc 0
24 mol 283 unq 2 iso 0 dist 8.36393 9.52445 4.25884 15.5185 9.35302 13.0176 numMergedOcc 0
25 mol 283 unq 3 iso 0 dist 8.36393 9.52445 4.25884 6.35533 8.85163 11.6249 numMergedOcc 0
26 mol 285 unq 0 iso 0 dist 8.12306 8.69325 7.22841 5.00843 6.73396 10.7484 numMergedOcc 0
27 mol 285 unq 1 iso 0 dist 8.12306 5.09181 6.01574 5.00843 6.73396 7.73438 numMergedOcc 0
28 mol 285 unq 2 iso 0 dist 8.12306 8.27917 8.02755 10.1123 5.28731 11.2031 numMergedOcc 0
