0 mol 56 unq 0 iso 0 dist 5.84326 7.84309 8.54845 8.45716 8.63486 14.6671 numMergedOcc 0
1 mol 109 unq 0 iso 0 dist 7.24527 12.7749 8.39771 3.56506 7.55384 14.6851 numMergedOcc 0
2 mol 112 unq 0 iso 0 dist 7.85583 13.6213 9.43616 11.1422 6.47042 5.51584 numMergedOcc 0
3 mol 112 unq 1 iso 0 dist 8.86938 14.3632 9.43616 13.5573 6.47042 5.51584 numMergedOcc 0
4 mol 124 unq 0 iso 0 dist 6.71293 4.04981 7.23052 7.72177 8.58188 10.0311 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 4.9155 11.831 7.97208 7.07077 5.53031 11.5403 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 8.49987 16.217 7.97208 5.92316 5.53031 11.5403 numMergedOcc 0
7 mol 134 unq 2 iso 0 dist 9.42271 15.4806 7.97208 10.7289 5.53031 11.5403 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 7.34207 10.3386 9.04554 6.03671 7.72144 13.8936 numMergedOcc 0
9 mol 163 unq 0 iso 0 dist 7.75045 11.8961 6.56115 7.79531 8.38738 11.7732 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 8.27794 9.65882 9.07833 8.07046 7.20392 4.97043 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.77347 4.17694 7.45401 6.2749 7.20574 8.19136 numMergedOcc 0
12 mol 188 unq 0 iso 0 dist 7.24099 5.11822 7.95028 6.77718 8.57261 9.91112 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 8.58471 10.4085 6.53736 5.35708 5.37446 5.06201 numMergedOcc 0
14 mol 210 unq 1 iso 0 dist 8.58471 9.24214 8.18851 5.35708 5.37446 6.66834 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 8.14644 6.4634 8.9077 6.53366 5.45036 5.41948 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 8.14644 6.4634 8.9077 9.80599 9.97586 15.1445 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 7.57253 13.2803 7.47238 14.1473 7.83711 6.4535 numMergedOcc 0
18 mol 240 unq 0 iso 0 dist 7.6664 7.4587 6.01168 14.1051 9.47583 14.3522 numMergedOcc 0
19 mol 240 unq 1 iso 0 dist 7.6664 9.99502 6.83069 14.1051 9.47583 8.30926 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 9.2067 9.6667 7.9357 5.00301 7.99477 11.517 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 9.2067 9.6667 7.9357 5.99575 7.86627 5.04382 numMergedOcc 0
22 mol 258 unq 2 iso 0 dist 9.2067 15.6893 8.81059 5.00301 7.99477 15.4617 numMergedOcc 0
23 mol 258 unq 3 iso 0 dist 9.2067 15.6893 8.81059 5.99575 7.86627 11.0527 numMergedOcc 0
24 mol 258 unq 4 iso 0 dist 9.16078 5.04164 9.47519 5.99575 7.93574 7.38682 numMergedOcc 0
25 mol 258 unq 5 iso 0 dist 9.16078 9.6667 5.79537 5.99575 7.93574 5.04382 numMergedOcc 0
26 mol 258 unq 6 iso 0 dist 9.16078 15.6893 9.12006 5.99575 7.93574 11.0527 numMergedOcc 0
27 mol 264 unq 0 iso 0 dist 8.85887 6.02878 6.80096 5.95173 6.42588 5.04055 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 9.82717 16.9394 7.66291 10.0774 5.31728 11.8763 numMergedOcc 0
29 mol 285 unq 1 iso 0 dist 8.33653 5.60271 7.66291 10.471 5.31728 11.8763 numMergedOcc 0
30 mol 285 unq 2 iso 0 dist 6.44657 4.8011 7.66291 10.8587 5.31728 11.8763 numMergedOcc 0
