0 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 6.50337 7.16903 10.2774 6.92532 12.3486 5.18512 13.3939 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 6.50337 10.2774 7.16903 6.92532 5.18512 12.3486 13.3939 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.20519 6.864 7.07775 6.50337 7.16903 10.3465 6.92532 12.3486 9.47529 13.3939 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 6.864 7.20519 7.07775 6.50337 10.3465 7.16903 6.92532 9.47529 12.3486 13.3939 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 6.50337 10.2774 10.3465 6.92532 5.18512 9.47529 13.3939 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 6.50337 10.3465 10.2774 6.92532 9.47529 5.18512 13.3939 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 6.07553 5.86882 3.96228 6.72502 6.58998 6.59374 7.43716 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 8.38394 8.86116 6.44287 6.07553 3.96228 5.86882 6.72502 6.59374 6.58998 7.43716 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 6.48457 9.9259 12.2071 6.72502 6.58998 6.59374 6.79243 numMergedOcc 0
9 mol 24 unq 1 iso 1 dist 8.38394 8.86116 6.44287 6.48457 12.2071 9.9259 6.72502 6.59374 6.58998 6.79243 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 9.07906 8.42544 6.09486 8.60739 5.64171 9.06158 13.8877 numMergedOcc 0
11 mol 43 unq 0 iso 1 dist 6.20293 5.73819 5.06502 9.07906 6.09486 8.42544 8.60739 9.06158 5.64171 13.8877 numMergedOcc 0
12 mol 43 unq 1 iso 0 dist 5.73819 8.93915 5.89973 9.07906 8.42544 4.40385 8.60739 5.64171 11.3891 13.8877 numMergedOcc 0
13 mol 43 unq 1 iso 1 dist 8.93915 5.73819 5.89973 9.07906 4.40385 8.42544 8.60739 11.3891 5.64171 13.8877 numMergedOcc 0
14 mol 43 unq 1 iso 0 dist 6.20293 8.93915 6.45462 9.07906 6.09486 4.40385 8.60739 9.06158 11.3891 13.8877 numMergedOcc 0
15 mol 43 unq 1 iso 1 dist 8.93915 6.20293 6.45462 9.07906 4.40385 6.09486 8.60739 11.3891 9.06158 13.8877 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 8.81824 6.62562 5.46695 7.33422 6.82174 7.91778 12.3035 numMergedOcc 0
17 mol 85 unq 0 iso 1 dist 6.19965 7.95579 4.26409 8.81824 5.46695 6.62562 7.33422 7.91778 6.82174 12.3035 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 7.95579 7.66905 10.7229 8.81824 6.62562 11.3211 7.33422 6.82174 10.121 12.3035 numMergedOcc 0
19 mol 85 unq 1 iso 1 dist 7.66905 7.95579 10.7229 8.81824 11.3211 6.62562 7.33422 10.121 6.82174 12.3035 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 8.81824 5.46695 11.3211 7.33422 7.91778 10.121 12.3035 numMergedOcc 0
21 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 8.81824 11.3211 5.46695 7.33422 10.121 7.91778 12.3035 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.86966 8.18329 5.97115 8.28642 5.70788 9.35627 13.6807 numMergedOcc 0
23 mol 152 unq 0 iso 1 dist 6.70283 5.87555 5.42328 8.86966 5.97115 8.18329 8.28642 9.35627 5.70788 13.6807 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 8.86966 8.18329 4.36394 8.28642 5.70788 11.2078 13.6807 numMergedOcc 0
25 mol 152 unq 1 iso 1 dist 8.67331 5.87555 5.54906 8.86966 4.36394 8.18329 8.28642 11.2078 5.70788 13.6807 numMergedOcc 0
26 mol 152 unq 1 iso 0 dist 6.70283 8.67331 6.4896 8.86966 5.97115 4.36394 8.28642 9.35627 11.2078 13.6807 numMergedOcc 0
27 mol 152 unq 1 iso 1 dist 8.67331 6.70283 6.4896 8.86966 4.36394 5.97115 8.28642 11.2078 9.35627 13.6807 numMergedOcc 0
28 mol 206 unq 0 iso 0 dist 8.02137 9.774 10.4 6.11803 7.25848 8.77621 8.70977 6.3188 9.9412 3.31862 numMergedOcc 0
29 mol 206 unq 0 iso 1 dist 9.774 8.02137 10.4 6.11803 8.77621 7.25848 8.70977 9.9412 6.3188 3.31862 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 9.23153 8.24498 10.5449 4.96654 13.231 7.35133 5.45036 6.17628 10.4136 9.66008 numMergedOcc 0
31 mol 220 unq 0 iso 1 dist 8.24498 9.23153 10.5449 4.96654 7.35133 13.231 5.45036 10.4136 6.17628 9.66008 numMergedOcc 0
32 mol 220 unq 1 iso 0 dist 9.23153 8.24498 10.5449 4.96654 13.231 7.35133 9.97586 14.0253 6.20511 7.48938 numMergedOcc 0
33 mol 220 unq 1 iso 1 dist 8.24498 9.23153 10.5449 4.96654 7.35133 13.231 9.97586 6.20511 14.0253 7.48938 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 8.41436 8.92474 8.62358 9.18589 10.3659 10.4355 9.007 8.16888 5.3211 14.0827 numMergedOcc 0
35 mol 234 unq 0 iso 1 dist 8.92474 8.41436 8.62358 9.18589 10.4355 10.3659 9.007 5.3211 8.16888 14.0827 numMergedOcc 0
36 mol 252 unq 0 iso 0 dist 8.33025 9.2288 8.41807 6.38733 12.9824 9.78504 7.50201 11.056 5.23748 7.10224 numMergedOcc 0
37 mol 252 unq 0 iso 1 dist 9.2288 8.33025 8.41807 6.38733 9.78504 12.9824 7.50201 5.23748 11.056 7.10224 numMergedOcc 0
38 mol 252 unq 1 iso 0 dist 8.33025 9.2288 8.41807 9.64349 15.2956 11.8272 7.50201 11.056 5.23748 10.1113 numMergedOcc 0
39 mol 252 unq 1 iso 1 dist 9.2288 8.33025 8.41807 9.64349 11.8272 15.2956 7.50201 5.23748 11.056 10.1113 numMergedOcc 0
40 mol 252 unq 2 iso 0 dist 8.33025 7.19638 14.9102 6.38733 12.9824 3.6688 7.50201 11.056 7.63376 7.10224 numMergedOcc 0
41 mol 252 unq 2 iso 1 dist 7.19638 8.33025 14.9102 6.38733 3.6688 12.9824 7.50201 7.63376 11.056 7.10224 numMergedOcc 0
42 mol 252 unq 3 iso 0 dist 8.33025 7.19638 14.9102 9.64349 15.2956 6.57801 7.50201 11.056 7.63376 10.1113 numMergedOcc 0
43 mol 252 unq 3 iso 1 dist 7.19638 8.33025 14.9102 9.64349 6.57801 15.2956 7.50201 7.63376 11.056 10.1113 numMergedOcc 0
44 mol 252 unq 2 iso 0 dist 9.2288 7.19638 11.7918 6.38733 9.78504 3.6688 7.50201 5.23748 7.63376 7.10224 numMergedOcc 0
45 mol 252 unq 2 iso 1 dist 7.19638 9.2288 11.7918 6.38733 3.6688 9.78504 7.50201 7.63376 5.23748 7.10224 numMergedOcc 0
46 mol 252 unq 3 iso 0 dist 9.2288 7.19638 11.7918 9.64349 11.8272 6.57801 7.50201 5.23748 7.63376 10.1113 numMergedOcc 0
47 mol 252 unq 3 iso 1 dist 7.19638 9.2288 11.7918 9.64349 6.57801 11.8272 7.50201 7.63376 5.23748 10.1113 numMergedOcc 0
48 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 8.98154 8.93097 6.55065 9.56685 5.90436 12.106 13.5618 numMergedOcc 0
49 mol 274 unq 0 iso 1 dist 8.49997 7.56915 6.33073 8.98154 6.55065 8.93097 9.56685 12.106 5.90436 13.5618 numMergedOcc 0
50 mol 274 unq 1 iso 0 dist 7.56915 8.49997 6.33073 8.98154 8.93097 6.55065 8.49922 9.27829 12.9674 16.1342 numMergedOcc 0
51 mol 274 unq 1 iso 1 dist 8.49997 7.56915 6.33073 8.98154 6.55065 8.93097 8.49922 12.9674 9.27829 16.1342 numMergedOcc 0
