0 mol 41 unq 0 iso 0 dist 9.59131 6.51139 13.4526 5.14132 8.91418 10.8516 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 9.59131 6.91278 11.3802 5.14132 8.91418 9.22814 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.4022 7.5434 4.16711 4.42702 8.39101 7.58673 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 7.74131 5.55798 4.20398 9.59811 9.28803 9.74201 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 8.53731 8.79677 6.76815 8.32999 7.50886 6.06039 numMergedOcc 0
5 mol 114 unq 1 iso 0 dist 8.53731 8.79677 6.76815 5.28095 7.25217 9.36502 numMergedOcc 0
6 mol 155 unq 0 iso 0 dist 6.91762 9.25488 9.37545 5.92486 7.62575 13.1102 numMergedOcc 0
7 mol 155 unq 1 iso 0 dist 6.91762 8.02356 5.49557 5.92486 7.62575 11.4383 numMergedOcc 0
8 mol 155 unq 2 iso 0 dist 6.91762 9.22494 9.32017 4.40049 8.02593 13.0413 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 8.15747 7.58913 8.4495 9.54124 7.42108 14.0629 numMergedOcc 0
10 mol 183 unq 1 iso 0 dist 8.15747 6.0782 3.94874 9.54124 7.42108 8.55287 numMergedOcc 0
11 mol 187 unq 0 iso 0 dist 7.81168 7.87608 4.75665 13.0397 8.26654 12.9656 numMergedOcc 0
12 mol 212 unq 0 iso 0 dist 7.53582 9.25225 10.1192 6.91212 9.15316 13.8022 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 7.74693 8.01777 13.8942 5.3674 7.83363 12.0539 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 9.51177 5.83514 4.11566 13.1765 9.46582 10.2886 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 9.51177 5.83514 4.11566 14.6367 9.77231 10.5557 numMergedOcc 0
16 mol 243 unq 0 iso 0 dist 5.86679 8.6336 6.42012 4.12468 8.53888 11.806 numMergedOcc 0
17 mol 243 unq 1 iso 0 dist 5.86679 9.58608 9.76752 4.12468 8.53888 8.62303 numMergedOcc 0
18 mol 243 unq 2 iso 0 dist 8.28347 8.6336 12.916 4.12468 9.46855 11.806 numMergedOcc 0
19 mol 243 unq 3 iso 0 dist 8.28347 9.58608 4.73439 4.12468 9.46855 8.62303 numMergedOcc 0
20 mol 247 unq 0 iso 0 dist 9.65548 9.75065 15.7979 4.32191 9.6455 13.168 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 5.30455 8.93518 4.95084 6.58569 8.46351 13.3209 numMergedOcc 0
22 mol 285 unq 0 iso 0 dist 8.12306 7.38536 8.7778 10.7671 8.96754 14.9236 numMergedOcc 0
