0 mol 24 unq 0 iso 0 dist 9.54519 6.36381 5.50396 13.2653 5.54419 9.33482 5.80023 7.36323 7.27472 12.3067 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 9.54519 6.36381 5.50396 5.80023 7.36323 7.27472 13.2653 5.54419 9.33482 12.3067 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.11056 8.94703 4.79736 10.4744 8.86116 12.3058 6.9756 8.38394 10.6772 6.44287 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.11056 8.94703 4.79736 6.9756 8.38394 10.6772 10.4744 8.86116 12.3058 6.44287 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.40051 5.77745 5.63212 13.466 7.57578 10.9703 14.4191 7.17969 10.3338 4.33106 numMergedOcc 0
5 mol 25 unq 0 iso 1 dist 8.40051 5.77745 5.63212 14.4191 7.17969 10.3338 13.466 7.57578 10.9703 4.33106 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 6.65344 8.35477 3.98306 5.29688 6.85766 10.4167 13.1729 7.71095 10.5771 10.0246 numMergedOcc 0
7 mol 59 unq 0 iso 1 dist 6.65344 8.35477 3.98306 13.1729 7.71095 10.5771 5.29688 6.85766 10.4167 10.0246 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.65047 9.70292 14.2178 5.33325 7.27724 14.1515 5.69671 8.03644 8.57395 8.41707 numMergedOcc 0
9 mol 95 unq 0 iso 1 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 5.33325 7.27724 14.1515 8.41707 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 9.65047 9.59704 8.78079 5.33325 7.27724 10.3132 5.69671 8.03644 9.85409 8.41707 numMergedOcc 0
11 mol 95 unq 1 iso 1 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 5.33325 7.27724 10.3132 8.41707 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 4.75138 5.08437 5.10496 10.4417 6.48948 5.92242 9.51923 numMergedOcc 0
13 mol 98 unq 0 iso 1 dist 5.9747 8.3505 3.9764 10.4417 6.48948 5.92242 4.75138 5.08437 5.10496 9.51923 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 5.9747 8.3505 3.9764 4.75138 5.08437 5.10496 11.3628 6.10456 5.2571 8.40073 numMergedOcc 0
15 mol 98 unq 1 iso 1 dist 5.9747 8.3505 3.9764 11.3628 6.10456 5.2571 4.75138 5.08437 5.10496 8.40073 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 5.9747 8.3505 3.9764 10.4417 6.48948 5.92242 11.3628 6.10456 5.2571 9.42358 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 5.9747 8.3505 3.9764 11.3628 6.10456 5.2571 10.4417 6.48948 5.92242 9.42358 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 5.9747 7.34638 7.03983 4.75138 5.08437 9.89095 10.4417 6.48948 7.02507 9.51923 numMergedOcc 0
19 mol 98 unq 2 iso 1 dist 5.9747 7.34638 7.03983 10.4417 6.48948 7.02507 4.75138 5.08437 9.89095 9.51923 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 5.9747 7.34638 7.03983 4.75138 5.08437 9.89095 11.3628 6.10456 12.7417 8.40073 numMergedOcc 0
21 mol 98 unq 3 iso 1 dist 5.9747 7.34638 7.03983 11.3628 6.10456 12.7417 4.75138 5.08437 9.89095 8.40073 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 5.9747 7.34638 7.03983 10.4417 6.48948 7.02507 11.3628 6.10456 12.7417 9.42358 numMergedOcc 0
23 mol 98 unq 3 iso 1 dist 5.9747 7.34638 7.03983 11.3628 6.10456 12.7417 10.4417 6.48948 7.02507 9.42358 numMergedOcc 0
24 mol 98 unq 4 iso 0 dist 4.50572 6.0995 7.03983 6.88489 5.08437 9.89095 9.63267 6.48948 7.02507 9.51923 numMergedOcc 0
25 mol 98 unq 4 iso 1 dist 4.50572 6.0995 7.03983 9.63267 6.48948 7.02507 6.88489 5.08437 9.89095 9.51923 numMergedOcc 0
26 mol 98 unq 5 iso 0 dist 4.50572 6.0995 7.03983 6.88489 5.08437 9.89095 9.82583 6.10456 12.7417 8.40073 numMergedOcc 0
27 mol 98 unq 5 iso 1 dist 4.50572 6.0995 7.03983 9.82583 6.10456 12.7417 6.88489 5.08437 9.89095 8.40073 numMergedOcc 0
28 mol 98 unq 5 iso 0 dist 4.50572 6.0995 7.03983 9.63267 6.48948 7.02507 9.82583 6.10456 12.7417 9.42358 numMergedOcc 0
29 mol 98 unq 5 iso 1 dist 4.50572 6.0995 7.03983 9.82583 6.10456 12.7417 9.63267 6.48948 7.02507 9.42358 numMergedOcc 0
30 mol 98 unq 6 iso 0 dist 4.50572 9.25525 13.1657 6.88489 5.08437 15.844 9.63267 6.48948 15.731 9.51923 numMergedOcc 0
31 mol 98 unq 6 iso 1 dist 4.50572 9.25525 13.1657 9.63267 6.48948 15.731 6.88489 5.08437 15.844 9.51923 numMergedOcc 0
32 mol 98 unq 7 iso 0 dist 4.50572 9.25525 13.1657 6.88489 5.08437 15.844 9.82583 6.10456 18.1227 8.40073 numMergedOcc 0
33 mol 98 unq 7 iso 1 dist 4.50572 9.25525 13.1657 9.82583 6.10456 18.1227 6.88489 5.08437 15.844 8.40073 numMergedOcc 0
34 mol 98 unq 7 iso 0 dist 4.50572 9.25525 13.1657 9.63267 6.48948 15.731 9.82583 6.10456 18.1227 9.42358 numMergedOcc 0
35 mol 98 unq 7 iso 1 dist 4.50572 9.25525 13.1657 9.82583 6.10456 18.1227 9.63267 6.48948 15.731 9.42358 numMergedOcc 0
36 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 5.28901 7.30858 6.04595 6.75472 5.83991 10.5599 10.8507 numMergedOcc 0
37 mol 115 unq 0 iso 1 dist 5.02717 6.31773 5.03039 6.75472 5.83991 10.5599 5.28901 7.30858 6.04595 10.8507 numMergedOcc 0
38 mol 115 unq 1 iso 0 dist 5.02717 6.31773 5.03039 5.28901 7.30858 6.04595 11.0268 7.88312 11.8378 11.5723 numMergedOcc 0
39 mol 115 unq 1 iso 1 dist 5.02717 6.31773 5.03039 11.0268 7.88312 11.8378 5.28901 7.30858 6.04595 11.5723 numMergedOcc 0
40 mol 115 unq 1 iso 0 dist 5.02717 6.31773 5.03039 6.75472 5.83991 10.5599 11.0268 7.88312 11.8378 8.02349 numMergedOcc 0
41 mol 115 unq 1 iso 1 dist 5.02717 6.31773 5.03039 11.0268 7.88312 11.8378 6.75472 5.83991 10.5599 8.02349 numMergedOcc 0
42 mol 115 unq 2 iso 0 dist 7.95871 9.79864 9.62029 4.86477 6.11741 9.13312 12.0354 7.88312 14.3246 7.69052 numMergedOcc 0
43 mol 115 unq 2 iso 1 dist 7.95871 9.79864 9.62029 12.0354 7.88312 14.3246 4.86477 6.11741 9.13312 7.69052 numMergedOcc 0
44 mol 117 unq 0 iso 0 dist 6.90827 6.78655 3.55765 10.4485 7.90328 10.4223 5.27151 7.83136 8.19331 7.22206 numMergedOcc 0
45 mol 117 unq 0 iso 1 dist 6.90827 6.78655 3.55765 5.27151 7.83136 8.19331 10.4485 7.90328 10.4223 7.22206 numMergedOcc 0
46 mol 117 unq 1 iso 0 dist 6.90827 6.78655 3.55765 10.4485 7.90328 10.4223 4.45276 7.0603 8.85711 9.3584 numMergedOcc 0
47 mol 117 unq 1 iso 1 dist 6.90827 6.78655 3.55765 4.45276 7.0603 8.85711 10.4485 7.90328 10.4223 9.3584 numMergedOcc 0
48 mol 117 unq 1 iso 0 dist 6.90827 6.78655 3.55765 5.27151 7.83136 8.19331 4.45276 7.0603 8.85711 7.21564 numMergedOcc 0
49 mol 117 unq 1 iso 1 dist 6.90827 6.78655 3.55765 4.45276 7.0603 8.85711 5.27151 7.83136 8.19331 7.21564 numMergedOcc 0
50 mol 117 unq 2 iso 0 dist 8.90977 9.42037 3.55765 13.8755 7.90328 10.4223 10.6616 7.83136 8.19331 7.22206 numMergedOcc 0
51 mol 117 unq 2 iso 1 dist 8.90977 9.42037 3.55765 10.6616 7.83136 8.19331 13.8755 7.90328 10.4223 7.22206 numMergedOcc 0
52 mol 117 unq 3 iso 0 dist 8.90977 9.42037 3.55765 13.8755 7.90328 10.4223 4.98254 7.0603 8.85711 9.3584 numMergedOcc 0
53 mol 117 unq 3 iso 1 dist 8.90977 9.42037 3.55765 4.98254 7.0603 8.85711 13.8755 7.90328 10.4223 9.3584 numMergedOcc 0
54 mol 117 unq 3 iso 0 dist 8.90977 9.42037 3.55765 10.6616 7.83136 8.19331 4.98254 7.0603 8.85711 7.21564 numMergedOcc 0
55 mol 117 unq 3 iso 1 dist 8.90977 9.42037 3.55765 4.98254 7.0603 8.85711 10.6616 7.83136 8.19331 7.21564 numMergedOcc 0
56 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 8.61575 9.61051 11.3039 10.0961 5.83384 11.7541 9.05135 numMergedOcc 0
57 mol 129 unq 0 iso 1 dist 6.38163 6.53559 6.28232 10.0961 5.83384 11.7541 8.61575 9.61051 11.3039 9.05135 numMergedOcc 0
58 mol 129 unq 1 iso 0 dist 6.38163 7.90844 12.3705 8.61575 9.61051 16.2082 10.0961 5.83384 17.1791 9.05135 numMergedOcc 0
59 mol 129 unq 1 iso 1 dist 6.38163 7.90844 12.3705 10.0961 5.83384 17.1791 8.61575 9.61051 16.2082 9.05135 numMergedOcc 0
60 mol 131 unq 0 iso 0 dist 6.31125 9.10434 3.98662 5.6098 8.40312 9.27976 4.29914 7.12972 10.0551 5.55373 numMergedOcc 0
61 mol 131 unq 0 iso 1 dist 6.31125 9.10434 3.98662 4.29914 7.12972 10.0551 5.6098 8.40312 9.27976 5.55373 numMergedOcc 0
62 mol 131 unq 1 iso 0 dist 6.31125 9.10434 3.98662 5.6098 8.40312 9.27976 5.59449 6.85062 10.7579 10.7062 numMergedOcc 0
63 mol 131 unq 1 iso 1 dist 6.31125 9.10434 3.98662 5.59449 6.85062 10.7579 5.6098 8.40312 9.27976 10.7062 numMergedOcc 0
64 mol 131 unq 1 iso 0 dist 6.31125 9.10434 3.98662 4.29914 7.12972 10.0551 5.59449 6.85062 10.7579 6.63273 numMergedOcc 0
65 mol 131 unq 1 iso 1 dist 6.31125 9.10434 3.98662 5.59449 6.85062 10.7579 4.29914 7.12972 10.0551 6.63273 numMergedOcc 0
66 mol 134 unq 0 iso 0 dist 9.55556 8.78303 7.41373 11.9294 8.94367 9.33094 6.36794 9.86662 8.69531 6.81259 numMergedOcc 0
67 mol 134 unq 0 iso 1 dist 9.55556 8.78303 7.41373 6.36794 9.86662 8.69531 11.9294 8.94367 9.33094 6.81259 numMergedOcc 0
68 mol 152 unq 0 iso 0 dist 8.07256 9.81212 7.68889 10.4039 8.56324 15.817 11.1874 6.70283 12.3868 7.65448 numMergedOcc 0
69 mol 152 unq 0 iso 1 dist 8.07256 9.81212 7.68889 11.1874 6.70283 12.3868 10.4039 8.56324 15.817 7.65448 numMergedOcc 0
70 mol 152 unq 1 iso 0 dist 8.07256 9.81212 7.68889 10.4039 8.56324 15.817 8.36099 7.16148 9.37904 10.6875 numMergedOcc 0
71 mol 152 unq 1 iso 1 dist 8.07256 9.81212 7.68889 8.36099 7.16148 9.37904 10.4039 8.56324 15.817 10.6875 numMergedOcc 0
72 mol 152 unq 1 iso 0 dist 8.07256 9.81212 7.68889 11.1874 6.70283 12.3868 8.36099 7.16148 9.37904 5.49936 numMergedOcc 0
73 mol 152 unq 1 iso 1 dist 8.07256 9.81212 7.68889 8.36099 7.16148 9.37904 11.1874 6.70283 12.3868 5.49936 numMergedOcc 0
74 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 9.98893 8.95269 13.2325 5.72088 6.57273 8.79428 4.70378 numMergedOcc 0
75 mol 224 unq 0 iso 1 dist 8.39002 6.32334 7.05804 5.72088 6.57273 8.79428 9.98893 8.95269 13.2325 4.70378 numMergedOcc 0
76 mol 224 unq 1 iso 0 dist 8.39002 6.32334 7.05804 9.98893 8.95269 13.2325 6.51315 5.78342 6.8692 11.5372 numMergedOcc 0
77 mol 224 unq 1 iso 1 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 9.98893 8.95269 13.2325 11.5372 numMergedOcc 0
78 mol 224 unq 1 iso 0 dist 8.39002 6.32334 7.05804 5.72088 6.57273 8.79428 6.51315 5.78342 6.8692 8.49799 numMergedOcc 0
79 mol 224 unq 1 iso 1 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 5.72088 6.57273 8.79428 8.49799 numMergedOcc 0
80 mol 224 unq 2 iso 0 dist 8.46129 6.32334 5.76843 6.31508 6.65832 6.99769 5.72088 6.60589 8.79428 6.77699 numMergedOcc 0
81 mol 224 unq 2 iso 1 dist 8.46129 6.32334 5.76843 5.72088 6.60589 8.79428 6.31508 6.65832 6.99769 6.77699 numMergedOcc 0
82 mol 224 unq 3 iso 0 dist 8.46129 6.32334 5.76843 6.31508 6.65832 6.99769 6.51315 9.16166 6.8692 11.328 numMergedOcc 0
83 mol 224 unq 3 iso 1 dist 8.46129 6.32334 5.76843 6.51315 9.16166 6.8692 6.31508 6.65832 6.99769 11.328 numMergedOcc 0
84 mol 224 unq 3 iso 0 dist 8.46129 6.32334 5.76843 5.72088 6.60589 8.79428 6.51315 9.16166 6.8692 8.49799 numMergedOcc 0
85 mol 224 unq 3 iso 1 dist 8.46129 6.32334 5.76843 6.51315 9.16166 6.8692 5.72088 6.60589 8.79428 8.49799 numMergedOcc 0
86 mol 236 unq 0 iso 0 dist 6.11137 9.94117 10.5937 15.1664 9.99038 19.0739 9.01197 6.27581 15.106 7.28249 numMergedOcc 0
87 mol 236 unq 0 iso 1 dist 6.11137 9.94117 10.5937 9.01197 6.27581 15.106 15.1664 9.99038 19.0739 7.28249 numMergedOcc 0
