0 mol 0 unq 0 iso 0 dist 8.27602 6.79669 5.88757 14.5276 8.66548 8.8123 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 8.27602 14.5276 8.66548 6.79669 5.88757 8.8123 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 9.31516 11.0303 7.11695 5.40507 7.58093 6.1522 numMergedOcc 0
3 mol 53 unq 0 iso 1 dist 9.31516 5.40507 7.58093 11.0303 7.11695 6.1522 numMergedOcc 0
4 mol 86 unq 0 iso 0 dist 6.56673 5.82666 5.88159 4.77145 9.29889 6.4158 numMergedOcc 0
5 mol 86 unq 0 iso 1 dist 6.56673 4.77145 9.29889 5.82666 5.88159 6.4158 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 7.11411 5.77447 4.26972 7.34471 7.54341 6.83062 numMergedOcc 0
7 mol 141 unq 0 iso 1 dist 7.11411 7.34471 7.54341 5.77447 4.26972 6.83062 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 6.45477 6.11011 7.05845 5.41014 8.18023 10.2334 numMergedOcc 0
9 mol 143 unq 0 iso 1 dist 6.45477 5.41014 8.18023 6.11011 7.05845 10.2334 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 9.51368 11.8853 6.11135 11.097 6.54481 7.46053 numMergedOcc 0
11 mol 194 unq 0 iso 1 dist 9.51368 11.097 6.54481 11.8853 6.11135 7.46053 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 9.51368 11.8853 6.11135 8.021 8.03403 7.61485 numMergedOcc 0
13 mol 194 unq 1 iso 1 dist 9.51368 8.021 8.03403 11.8853 6.11135 7.61485 numMergedOcc 0
14 mol 194 unq 1 iso 0 dist 9.51368 11.097 6.54481 8.021 8.03403 4.87859 numMergedOcc 0
15 mol 194 unq 1 iso 1 dist 9.51368 8.021 8.03403 11.097 6.54481 4.87859 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 8.83742 12.8297 5.73591 12.4665 8.55345 4.74813 numMergedOcc 0
17 mol 224 unq 0 iso 1 dist 8.83742 12.4665 8.55345 12.8297 5.73591 4.74813 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 9.00657 6.14528 6.96257 11.0167 6.86569 6.31377 numMergedOcc 0
19 mol 234 unq 0 iso 1 dist 9.00657 11.0167 6.86569 6.14528 6.96257 6.31377 numMergedOcc 0
20 mol 234 unq 1 iso 0 dist 7.87591 5.43106 6.96257 4.69096 6.86569 6.31377 numMergedOcc 0
21 mol 234 unq 1 iso 1 dist 7.87591 4.69096 6.86569 5.43106 6.96257 6.31377 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.28643 6.23871 7.39547 11.3884 7.24334 9.50847 numMergedOcc 0
23 mol 238 unq 0 iso 1 dist 8.28643 11.3884 7.24334 6.23871 7.39547 9.50847 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 9.85851 9.53225 9.38131 4.53313 6.85253 6.44245 numMergedOcc 0
25 mol 238 unq 1 iso 1 dist 9.85851 4.53313 6.85253 9.53225 9.38131 6.44245 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 9.85851 9.53225 9.38131 17.2298 9.08687 13.7867 numMergedOcc 0
27 mol 238 unq 2 iso 1 dist 9.85851 17.2298 9.08687 9.53225 9.38131 13.7867 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 9.85851 4.53313 6.85253 17.2298 9.08687 13.0634 numMergedOcc 0
29 mol 238 unq 2 iso 1 dist 9.85851 17.2298 9.08687 4.53313 6.85253 13.0634 numMergedOcc 0
30 mol 238 unq 3 iso 0 dist 6.83837 5.05105 5.43613 5.9436 7.06768 6.34909 numMergedOcc 0
31 mol 238 unq 3 iso 1 dist 6.83837 5.9436 7.06768 5.05105 5.43613 6.34909 numMergedOcc 0
32 mol 260 unq 0 iso 0 dist 7.88296 9.25828 8.5613 6.48544 5.7791 5.69506 numMergedOcc 0
33 mol 260 unq 0 iso 1 dist 7.88296 6.48544 5.7791 9.25828 8.5613 5.69506 numMergedOcc 0
34 mol 279 unq 0 iso 0 dist 8.9352 10.2059 8.92667 11.5371 6.0283 6.95 numMergedOcc 0
35 mol 279 unq 0 iso 1 dist 8.9352 11.5371 6.0283 10.2059 8.92667 6.95 numMergedOcc 0
36 mol 279 unq 1 iso 0 dist 5.8845 5.61747 8.92667 7.28266 6.0283 6.95 numMergedOcc 0
37 mol 279 unq 1 iso 1 dist 5.8845 7.28266 6.0283 5.61747 8.92667 6.95 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 7.02679 12.284 9.08193 7.32101 8.73515 12.8693 numMergedOcc 0
39 mol 292 unq 0 iso 1 dist 7.02679 7.32101 8.73515 12.284 9.08193 12.8693 numMergedOcc 0
