0 mol 4 unq 0 iso 0 dist 6.04705 8.97732 8.24634 12.7591 9.16617 10.6506 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 6.04705 12.7591 9.16617 8.97732 8.24634 10.6506 numMergedOcc 0
2 mol 4 unq 1 iso 0 dist 6.04705 8.97732 8.24634 9.49251 8.87255 11.7391 numMergedOcc 0
3 mol 4 unq 1 iso 1 dist 6.04705 9.49251 8.87255 8.97732 8.24634 11.7391 numMergedOcc 0
4 mol 4 unq 1 iso 0 dist 6.04705 12.7591 9.16617 9.49251 8.87255 6.49264 numMergedOcc 0
5 mol 4 unq 1 iso 1 dist 6.04705 9.49251 8.87255 12.7591 9.16617 6.49264 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 9.4523 14.5187 8.64915 10.6489 8.17347 5.43306 numMergedOcc 0
7 mol 9 unq 0 iso 1 dist 9.4523 10.6489 8.17347 14.5187 8.64915 5.43306 numMergedOcc 0
8 mol 9 unq 1 iso 0 dist 9.4523 14.5187 8.64915 7.17062 7.83133 11.3401 numMergedOcc 0
9 mol 9 unq 1 iso 1 dist 9.4523 7.17062 7.83133 14.5187 8.64915 11.3401 numMergedOcc 0
10 mol 9 unq 1 iso 0 dist 9.4523 10.6489 8.17347 7.17062 7.83133 6.8386 numMergedOcc 0
11 mol 9 unq 1 iso 1 dist 9.4523 7.17062 7.83133 10.6489 8.17347 6.8386 numMergedOcc 0
12 mol 11 unq 0 iso 0 dist 6.97875 6.15351 4.30695 4.69415 6.35398 7.0964 numMergedOcc 0
13 mol 11 unq 0 iso 1 dist 6.97875 4.69415 6.35398 6.15351 4.30695 7.0964 numMergedOcc 0
14 mol 24 unq 0 iso 0 dist 6.85331 10.7574 7.33768 15.2995 9.01567 7.88693 numMergedOcc 0
15 mol 24 unq 0 iso 1 dist 6.85331 15.2995 9.01567 10.7574 7.33768 7.88693 numMergedOcc 0
16 mol 24 unq 1 iso 0 dist 6.85331 10.7574 7.33768 12.8157 7.29868 10.2653 numMergedOcc 0
17 mol 24 unq 1 iso 1 dist 6.85331 12.8157 7.29868 10.7574 7.33768 10.2653 numMergedOcc 0
18 mol 24 unq 1 iso 0 dist 6.85331 15.2995 9.01567 12.8157 7.29868 6.16544 numMergedOcc 0
19 mol 24 unq 1 iso 1 dist 6.85331 12.8157 7.29868 15.2995 9.01567 6.16544 numMergedOcc 0
20 mol 24 unq 2 iso 0 dist 6.35095 8.7316 8.70827 10.9987 6.73939 15.0804 numMergedOcc 0
21 mol 24 unq 2 iso 1 dist 6.35095 10.9987 6.73939 8.7316 8.70827 15.0804 numMergedOcc 0
22 mol 25 unq 0 iso 0 dist 8.23292 14.4951 7.45383 6.39668 9.01548 12.6805 numMergedOcc 0
23 mol 25 unq 0 iso 1 dist 8.23292 6.39668 9.01548 14.4951 7.45383 12.6805 numMergedOcc 0
24 mol 54 unq 0 iso 0 dist 8.62769 11.1809 7.07339 7.13002 7.23317 4.69259 numMergedOcc 0
25 mol 54 unq 0 iso 1 dist 8.62769 7.13002 7.23317 11.1809 7.07339 4.69259 numMergedOcc 0
26 mol 54 unq 1 iso 0 dist 6.09782 6.11075 7.07339 8.4509 7.23317 4.69259 numMergedOcc 0
27 mol 54 unq 1 iso 1 dist 6.09782 8.4509 7.23317 6.11075 7.07339 4.69259 numMergedOcc 0
28 mol 68 unq 0 iso 0 dist 7.45675 9.7068 7.26024 5.9436 6.36086 6.00618 numMergedOcc 0
29 mol 68 unq 0 iso 1 dist 7.45675 5.9436 6.36086 9.7068 7.26024 6.00618 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 7.5984 11.4055 7.78652 9.54731 8.91301 4.30566 numMergedOcc 0
31 mol 143 unq 0 iso 1 dist 7.5984 9.54731 8.91301 11.4055 7.78652 4.30566 numMergedOcc 0
32 mol 174 unq 0 iso 0 dist 4.93781 10.4483 8.87569 12.0746 9.87122 4.17687 numMergedOcc 0
33 mol 174 unq 0 iso 1 dist 4.93781 12.0746 9.87122 10.4483 8.87569 4.17687 numMergedOcc 0
34 mol 174 unq 1 iso 0 dist 9.32818 13.3134 8.87569 16.4521 9.87122 4.17687 numMergedOcc 0
35 mol 174 unq 1 iso 1 dist 9.32818 16.4521 9.87122 13.3134 8.87569 4.17687 numMergedOcc 0
36 mol 174 unq 2 iso 0 dist 7.03029 6.97204 8.87569 9.84841 9.87122 4.17687 numMergedOcc 0
37 mol 174 unq 2 iso 1 dist 7.03029 9.84841 9.87122 6.97204 8.87569 4.17687 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 9.63295 14.1039 5.9176 5.39949 6.41453 9.53592 numMergedOcc 0
39 mol 181 unq 0 iso 1 dist 9.63295 5.39949 6.41453 14.1039 5.9176 9.53592 numMergedOcc 0
40 mol 188 unq 0 iso 0 dist 7.95028 6.58929 7.14503 10.4103 8.10214 9.01338 numMergedOcc 0
41 mol 188 unq 0 iso 1 dist 7.95028 10.4103 8.10214 6.58929 7.14503 9.01338 numMergedOcc 0
42 mol 206 unq 0 iso 0 dist 8.73396 11.3915 6.16414 7.26571 7.33701 6.46458 numMergedOcc 0
43 mol 206 unq 0 iso 1 dist 8.73396 7.26571 7.33701 11.3915 6.16414 6.46458 numMergedOcc 0
44 mol 206 unq 1 iso 0 dist 8.73396 11.3915 6.16414 6.33838 8.0871 9.9892 numMergedOcc 0
45 mol 206 unq 1 iso 1 dist 8.73396 6.33838 8.0871 11.3915 6.16414 9.9892 numMergedOcc 0
46 mol 206 unq 1 iso 0 dist 8.73396 7.26571 7.33701 6.33838 8.0871 4.38701 numMergedOcc 0
47 mol 206 unq 1 iso 1 dist 8.73396 6.33838 8.0871 7.26571 7.33701 4.38701 numMergedOcc 0
48 mol 212 unq 0 iso 0 dist 7.87125 11.7484 9.74144 7.05237 8.69988 12.5482 numMergedOcc 0
49 mol 212 unq 0 iso 1 dist 7.87125 7.05237 8.69988 11.7484 9.74144 12.5482 numMergedOcc 0
50 mol 212 unq 1 iso 0 dist 7.87125 11.7484 9.74144 11.3998 8.55903 15.0034 numMergedOcc 0
51 mol 212 unq 1 iso 1 dist 7.87125 11.3998 8.55903 11.7484 9.74144 15.0034 numMergedOcc 0
52 mol 212 unq 2 iso 0 dist 7.87125 11.7484 9.74144 7.67532 7.15603 5.24023 numMergedOcc 0
53 mol 212 unq 2 iso 1 dist 7.87125 7.67532 7.15603 11.7484 9.74144 5.24023 numMergedOcc 0
54 mol 212 unq 1 iso 0 dist 7.87125 7.05237 8.69988 11.3998 8.55903 6.18191 numMergedOcc 0
55 mol 212 unq 1 iso 1 dist 7.87125 11.3998 8.55903 7.05237 8.69988 6.18191 numMergedOcc 0
56 mol 212 unq 2 iso 0 dist 7.87125 7.05237 8.69988 7.67532 7.15603 7.34372 numMergedOcc 0
57 mol 212 unq 2 iso 1 dist 7.87125 7.67532 7.15603 7.05237 8.69988 7.34372 numMergedOcc 0
58 mol 212 unq 2 iso 0 dist 7.87125 11.3998 8.55903 7.67532 7.15603 10.7093 numMergedOcc 0
59 mol 212 unq 2 iso 1 dist 7.87125 7.67532 7.15603 11.3998 8.55903 10.7093 numMergedOcc 0
60 mol 222 unq 0 iso 0 dist 8.69148 8.56453 7.67576 13.6076 9.82371 11.3283 numMergedOcc 0
61 mol 222 unq 0 iso 1 dist 8.69148 13.6076 9.82371 8.56453 7.67576 11.3283 numMergedOcc 0
