0 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 5.48395 6.31718 6.92781 9.8871 4.65873 6.57331 8.43054 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 6.36377 5.48395 6.31718 4.78943 5.05803 6.92781 9.8871 4.65873 8.43054 6.57331 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 11.8286 6.20293 8.13395 12.266 5.41726 6.6263 6.75943 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.38387 11.8286 6.20293 11.0096 8.80331 8.13395 12.266 5.41726 6.75943 6.6263 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 10.4417 6.48948 9.51923 8.3505 3.9764 5.10496 5.92242 numMergedOcc 0
5 mol 98 unq 0 iso 1 dist 5.9747 10.4417 6.48948 4.75138 5.08437 9.51923 8.3505 3.9764 5.92242 5.10496 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 5.9747 4.75138 5.08437 11.3628 6.10456 8.40073 8.3505 3.9764 5.10496 5.2571 numMergedOcc 0
7 mol 98 unq 1 iso 1 dist 5.9747 11.3628 6.10456 4.75138 5.08437 8.40073 8.3505 3.9764 5.2571 5.10496 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.9747 10.4417 6.48948 11.3628 6.10456 9.42358 8.3505 3.9764 5.92242 5.2571 numMergedOcc 0
9 mol 98 unq 1 iso 1 dist 5.9747 11.3628 6.10456 10.4417 6.48948 9.42358 8.3505 3.9764 5.2571 5.92242 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 4.50572 6.88489 5.08437 9.63267 6.48948 9.51923 8.32269 3.9764 5.10496 5.92242 numMergedOcc 0
11 mol 98 unq 2 iso 1 dist 4.50572 9.63267 6.48948 6.88489 5.08437 9.51923 8.32269 3.9764 5.92242 5.10496 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 4.50572 6.88489 5.08437 9.82583 6.10456 8.40073 8.32269 3.9764 5.10496 5.2571 numMergedOcc 0
13 mol 98 unq 3 iso 1 dist 4.50572 9.82583 6.10456 6.88489 5.08437 8.40073 8.32269 3.9764 5.2571 5.10496 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 4.50572 9.63267 6.48948 9.82583 6.10456 9.42358 8.32269 3.9764 5.92242 5.2571 numMergedOcc 0
15 mol 98 unq 3 iso 1 dist 4.50572 9.82583 6.10456 9.63267 6.48948 9.42358 8.32269 3.9764 5.2571 5.92242 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 4.98864 6.59772 6.11741 10.9437 7.88312 7.69052 9.47795 6.07067 6.39384 9.42082 numMergedOcc 0
17 mol 115 unq 0 iso 1 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 9.47795 6.07067 9.42082 6.39384 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 7.95871 4.86477 6.11741 12.0354 7.88312 7.69052 9.29473 6.07067 6.39384 9.42082 numMergedOcc 0
19 mol 115 unq 1 iso 1 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 9.29473 6.07067 9.42082 6.39384 numMergedOcc 0
20 mol 117 unq 0 iso 0 dist 6.90827 5.27151 7.83136 4.45276 7.0603 7.21564 6.78655 3.55765 8.19331 8.85711 numMergedOcc 0
21 mol 117 unq 0 iso 1 dist 6.90827 4.45276 7.0603 5.27151 7.83136 7.21564 6.78655 3.55765 8.85711 8.19331 numMergedOcc 0
22 mol 117 unq 1 iso 0 dist 8.90977 10.6616 7.83136 4.98254 7.0603 7.21564 9.42037 3.55765 8.19331 8.85711 numMergedOcc 0
23 mol 117 unq 1 iso 1 dist 8.90977 4.98254 7.0603 10.6616 7.83136 7.21564 9.42037 3.55765 8.85711 8.19331 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 6.20443 9.86662 6.81259 12.3555 7.41373 9.33094 8.69531 numMergedOcc 0
25 mol 134 unq 0 iso 1 dist 9.92932 6.20443 9.86662 10.5108 8.94367 6.81259 12.3555 7.41373 8.69531 9.33094 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 9.60411 10.5108 6.37586 6.20443 9.71307 6.81259 12.3555 10.8635 9.33094 8.69531 numMergedOcc 0
27 mol 134 unq 1 iso 1 dist 9.60411 6.20443 9.71307 10.5108 6.37586 6.81259 12.3555 10.8635 8.69531 9.33094 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 9.55556 11.9294 8.94367 6.36794 9.86662 6.81259 8.78303 7.41373 9.33094 8.69531 numMergedOcc 0
29 mol 134 unq 2 iso 1 dist 9.55556 6.36794 9.86662 11.9294 8.94367 6.81259 8.78303 7.41373 8.69531 9.33094 numMergedOcc 0
30 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 11.1874 6.70283 7.65448 12.0918 5.39112 6.59889 6.70693 numMergedOcc 0
31 mol 152 unq 0 iso 1 dist 8.07256 11.1874 6.70283 10.4039 8.56324 7.65448 12.0918 5.39112 6.70693 6.59889 numMergedOcc 0
32 mol 192 unq 0 iso 0 dist 9.90531 8.43102 5.59424 4.96445 7.00794 5.76246 11.6646 6.35474 5.64942 6.97962 numMergedOcc 0
33 mol 192 unq 0 iso 1 dist 9.90531 4.96445 7.00794 8.43102 5.59424 5.76246 11.6646 6.35474 6.97962 5.64942 numMergedOcc 0
34 mol 192 unq 1 iso 0 dist 9.90531 8.43102 5.59424 4.96445 7.00794 5.76246 11.4183 5.25965 7.43054 6.79229 numMergedOcc 0
35 mol 192 unq 1 iso 1 dist 9.90531 4.96445 7.00794 8.43102 5.59424 5.76246 11.4183 5.25965 6.79229 7.43054 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 8.39002 5.72088 6.57273 6.51315 5.78342 8.49799 6.32334 7.05804 8.79428 6.8692 numMergedOcc 0
37 mol 224 unq 0 iso 1 dist 8.39002 6.51315 5.78342 5.72088 6.57273 8.49799 6.32334 7.05804 6.8692 8.79428 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 8.46129 6.31508 6.65832 5.72088 6.60589 6.77699 6.32334 5.76843 6.99769 8.79428 numMergedOcc 0
39 mol 224 unq 1 iso 1 dist 8.46129 5.72088 6.60589 6.31508 6.65832 6.77699 6.32334 5.76843 8.79428 6.99769 numMergedOcc 0
40 mol 224 unq 2 iso 0 dist 8.46129 6.31508 6.65832 6.51315 9.16166 11.328 6.32334 5.76843 6.99769 6.8692 numMergedOcc 0
41 mol 224 unq 2 iso 1 dist 8.46129 6.51315 9.16166 6.31508 6.65832 11.328 6.32334 5.76843 6.8692 6.99769 numMergedOcc 0
42 mol 224 unq 2 iso 0 dist 8.46129 5.72088 6.60589 6.51315 9.16166 8.49799 6.32334 5.76843 8.79428 6.8692 numMergedOcc 0
43 mol 224 unq 2 iso 1 dist 8.46129 6.51315 9.16166 5.72088 6.60589 8.49799 6.32334 5.76843 6.8692 8.79428 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 8.06771 6.64729 8.13497 9.79538 7.88519 4.69778 13.9131 8.8603 9.07743 7.66153 numMergedOcc 0
45 mol 259 unq 0 iso 1 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 13.9131 8.8603 7.66153 9.07743 numMergedOcc 0
