0 mol 7 unq 0 iso 0 dist 6.16125 5.8785 8.19144 6.3236 7.31201 5.77391 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.16125 5.71606 7.84459 6.3236 7.31201 10.3415 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.25905 10.5553 8.95294 7.43559 8.52106 9.9807 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 8.25905 10.5553 8.95294 10.1793 6.32451 7.30649 numMergedOcc 0
4 mol 18 unq 2 iso 0 dist 8.25905 12.9137 7.19022 7.43559 8.52106 10.4866 numMergedOcc 0
5 mol 18 unq 3 iso 0 dist 8.25905 12.9137 7.19022 10.1793 6.32451 5.31135 numMergedOcc 0
6 mol 21 unq 0 iso 0 dist 4.82549 4.99445 9.34916 6.5268 6.08338 10.8106 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 5.97065 7.47256 9.10253 7.89671 8.82012 10.3363 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 5.97065 7.47256 9.10253 10.1933 9.16962 16.9524 numMergedOcc 0
9 mol 70 unq 0 iso 0 dist 8.06918 14.1904 9.76145 9.17087 8.33704 6.02166 numMergedOcc 0
10 mol 70 unq 1 iso 0 dist 8.06918 14.1904 9.76145 5.33532 7.92394 10.1412 numMergedOcc 0
11 mol 70 unq 2 iso 0 dist 8.56968 15.9614 9.76145 12.189 8.33704 6.02166 numMergedOcc 0
12 mol 70 unq 3 iso 0 dist 8.56968 15.9614 9.76145 7.6455 7.92394 10.1412 numMergedOcc 0
13 mol 70 unq 4 iso 0 dist 7.70428 9.59976 9.76145 9.32366 8.33704 6.02166 numMergedOcc 0
14 mol 70 unq 5 iso 0 dist 7.70428 9.59976 9.76145 7.61147 7.92394 10.1412 numMergedOcc 0
15 mol 105 unq 0 iso 0 dist 8.32431 11.0792 6.13301 10.5413 8.36733 5.40409 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 7.09847 9.23342 7.95111 4.59843 9.52936 7.25468 numMergedOcc 0
17 mol 184 unq 1 iso 0 dist 7.09847 9.23342 7.95111 5.66847 9.15417 8.82012 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 9.20864 16.4101 8.60851 13.9921 6.95408 5.87898 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 9.20864 16.4101 8.60851 10.0058 9.57538 13.1777 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 9.20864 16.4101 8.60851 7.93019 9.2285 15.4354 numMergedOcc 0
21 mol 194 unq 3 iso 0 dist 9.20864 16.4101 8.60851 5.58057 7.58278 15.5581 numMergedOcc 0
22 mol 213 unq 0 iso 0 dist 4.80429 5.48408 7.53384 7.18317 6.0965 5.97098 numMergedOcc 0
23 mol 228 unq 0 iso 0 dist 9.79291 14.1961 7.56863 11.2222 9.06121 12.0882 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 6.89216 6.12374 5.72415 11.0676 6.91569 6.53984 numMergedOcc 0
25 mol 247 unq 0 iso 0 dist 6.34304 6.14573 9.88695 8.49616 6.6838 14.0109 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 7.83041 9.34137 6.52138 12.3321 7.19465 7.07333 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 6.18798 5.5938 8.84139 5.32305 8.12892 10.7477 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 6.18798 9.0995 9.26725 5.32305 8.12892 13.4341 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 8.8896 13.1621 9.89613 7.62102 6.50589 5.56999 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 7.86196 7.02465 9.17225 9.62211 9.03492 5.57044 numMergedOcc 0
