0 mol 24 unq 0 iso 0 dist 9.7649 4.01127 6.5268 10.5243 8.25818 10.2093 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.5268 4.01127 9.7649 10.2093 8.25818 10.5243 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 7.49792 4.97926 6.58981 3.70802 4.46067 3.66673 numMergedOcc 0
3 mol 62 unq 0 iso 1 dist 6.58981 4.97926 7.49792 3.66673 4.46067 3.70802 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 6.51901 6.8519 9.1926 4.29679 4.46067 8.07308 numMergedOcc 0
5 mol 62 unq 1 iso 1 dist 9.1926 6.8519 6.51901 8.07308 4.46067 4.29679 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 8.06894 4.79001 5.89846 11.2724 8.14512 6.63195 numMergedOcc 0
7 mol 63 unq 0 iso 1 dist 5.89846 4.79001 8.06894 6.63195 8.14512 11.2724 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 6.98134 6.44723 8.55413 4.26914 6.55227 9.53399 numMergedOcc 0
9 mol 116 unq 0 iso 1 dist 8.55413 6.44723 6.98134 9.53399 6.55227 4.26914 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 5.56598 4.35802 5.39792 8.24077 7.84207 5.56137 numMergedOcc 0
11 mol 120 unq 0 iso 1 dist 5.39792 4.35802 5.56598 5.56137 7.84207 8.24077 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 5.56598 4.35802 5.39792 3.79384 8.56947 6.80121 numMergedOcc 0
13 mol 120 unq 1 iso 1 dist 5.39792 4.35802 5.56598 6.80121 8.56947 3.79384 numMergedOcc 0
14 mol 120 unq 2 iso 0 dist 5.56598 7.74329 7.00542 8.24077 7.84207 7.75617 numMergedOcc 0
15 mol 120 unq 2 iso 1 dist 7.00542 7.74329 5.56598 7.75617 7.84207 8.24077 numMergedOcc 0
16 mol 120 unq 3 iso 0 dist 5.56598 7.74329 7.00542 3.79384 8.56947 10.6431 numMergedOcc 0
17 mol 120 unq 3 iso 1 dist 7.00542 7.74329 5.56598 10.6431 8.56947 3.79384 numMergedOcc 0
18 mol 120 unq 2 iso 0 dist 5.39792 3.95559 7.00542 5.56137 7.84207 7.75617 numMergedOcc 0
19 mol 120 unq 2 iso 1 dist 7.00542 3.95559 5.39792 7.75617 7.84207 5.56137 numMergedOcc 0
20 mol 120 unq 3 iso 0 dist 5.39792 3.95559 7.00542 6.80121 8.56947 10.6431 numMergedOcc 0
21 mol 120 unq 3 iso 1 dist 7.00542 3.95559 5.39792 10.6431 8.56947 6.80121 numMergedOcc 0
22 mol 120 unq 4 iso 0 dist 8.44206 3.95559 9.78884 10.0743 9.31385 10.2233 numMergedOcc 0
23 mol 120 unq 4 iso 1 dist 9.78884 3.95559 8.44206 10.2233 9.31385 10.0743 numMergedOcc 0
24 mol 120 unq 5 iso 0 dist 8.44206 3.95559 9.78884 5.56137 6.98791 7.75617 numMergedOcc 0
25 mol 120 unq 5 iso 1 dist 9.78884 3.95559 8.44206 7.75617 6.98791 5.56137 numMergedOcc 0
26 mol 123 unq 0 iso 0 dist 9.72421 9.24766 8.35926 3.50983 8.78115 5.85997 numMergedOcc 0
27 mol 123 unq 0 iso 1 dist 8.35926 9.24766 9.72421 5.85997 8.78115 3.50983 numMergedOcc 0
28 mol 123 unq 1 iso 0 dist 9.72421 9.24766 8.35926 11.8396 8.03692 3.61945 numMergedOcc 0
29 mol 123 unq 1 iso 1 dist 8.35926 9.24766 9.72421 3.61945 8.03692 11.8396 numMergedOcc 0
30 mol 141 unq 0 iso 0 dist 7.53591 6.07339 8.34503 4.40012 5.60448 3.48408 numMergedOcc 0
31 mol 141 unq 0 iso 1 dist 8.34503 6.07339 7.53591 3.48408 5.60448 4.40012 numMergedOcc 0
32 mol 194 unq 0 iso 0 dist 4.55528 5.72474 6.88386 4.02402 5.10542 8.31549 numMergedOcc 0
33 mol 194 unq 0 iso 1 dist 6.88386 5.72474 4.55528 8.31549 5.10542 4.02402 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 4.42095 5.72474 4.63898 3.83542 5.18325 4.98625 numMergedOcc 0
35 mol 194 unq 1 iso 1 dist 4.63898 5.72474 4.42095 4.98625 5.18325 3.83542 numMergedOcc 0
36 mol 194 unq 2 iso 0 dist 4.42095 5.72474 4.63898 4.02402 4.68722 8.31549 numMergedOcc 0
37 mol 194 unq 2 iso 1 dist 4.63898 5.72474 4.42095 8.31549 4.68722 4.02402 numMergedOcc 0
38 mol 194 unq 3 iso 0 dist 4.42095 10.1601 9.53641 3.83542 5.18325 8.48051 numMergedOcc 0
39 mol 194 unq 3 iso 1 dist 9.53641 10.1601 4.42095 8.48051 5.18325 3.83542 numMergedOcc 0
40 mol 194 unq 4 iso 0 dist 4.42095 10.1601 9.53641 4.02402 4.68722 7.40457 numMergedOcc 0
41 mol 194 unq 4 iso 1 dist 9.53641 10.1601 4.42095 7.40457 4.68722 4.02402 numMergedOcc 0
42 mol 194 unq 2 iso 0 dist 4.63898 12.2071 9.53641 8.31549 4.68722 7.40457 numMergedOcc 0
43 mol 194 unq 2 iso 1 dist 9.53641 12.2071 4.63898 7.40457 4.68722 8.31549 numMergedOcc 0
44 mol 194 unq 3 iso 0 dist 4.63898 12.2071 9.53641 4.98625 5.18325 8.48051 numMergedOcc 0
45 mol 194 unq 3 iso 1 dist 9.53641 12.2071 4.63898 8.48051 5.18325 4.98625 numMergedOcc 0
46 mol 213 unq 0 iso 0 dist 5.90026 6.55181 8.86496 5.16198 7.93317 10.4575 numMergedOcc 0
47 mol 213 unq 0 iso 1 dist 8.86496 6.55181 5.90026 10.4575 7.93317 5.16198 numMergedOcc 0
48 mol 283 unq 0 iso 0 dist 9.82274 6.13301 7.17276 4.3196 7.31132 6.30031 numMergedOcc 0
49 mol 283 unq 0 iso 1 dist 7.17276 6.13301 9.82274 6.30031 7.31132 4.3196 numMergedOcc 0
50 mol 284 unq 0 iso 0 dist 5.2862 4.24841 5.31097 5.88619 5.6964 4.57529 numMergedOcc 0
51 mol 284 unq 0 iso 1 dist 5.31097 4.24841 5.2862 4.57529 5.6964 5.88619 numMergedOcc 0
