0 mol 7 unq 0 iso 0 dist 8.23909 13.7145 6.02702 23.0437 15.9584 9.97624 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.72215 6.11915 6.02702 13.4231 15.9584 9.97624 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 6.79478 5.15125 4.30695 8.3846 7.27724 7.56871 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 6.79478 10.9655 6.35398 14.4856 7.85924 9.09091 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.89722 11.5412 9.24757 6.4154 7.41074 7.10439 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 7.26679 11.2253 9.24757 9.51458 7.41074 7.10439 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 4.98104 9.52463 6.95572 13.785 9.32974 6.72712 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 4.98104 9.52463 6.95572 11.3299 6.99832 5.39745 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 8.42445 12.5697 6.84011 13.4874 5.31367 8.809 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 8.42445 12.5697 6.84011 16.3195 8.88748 5.79343 numMergedOcc 0
10 mol 126 unq 0 iso 0 dist 9.06961 4.43093 6.30546 11.7153 7.01257 7.36017 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.97145 4.17212 8.70296 10.6766 7.90484 9.2235 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 6.5874 9.64263 8.70296 13.552 7.90484 9.2235 numMergedOcc 0
13 mol 135 unq 0 iso 0 dist 6.5228 5.14857 5.62052 11.3799 4.91422 9.15377 numMergedOcc 0
14 mol 135 unq 1 iso 0 dist 6.5228 5.26692 7.90563 10.14 7.66205 7.12936 numMergedOcc 0
15 mol 174 unq 0 iso 0 dist 8.76218 11.8159 9.87122 11.1631 8.37744 7.47932 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 7.44191 11.2787 6.59025 14.3261 7.07409 6.32777 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 6.00053 5.87168 6.59025 9.34615 7.07409 6.32777 numMergedOcc 0
18 mol 188 unq 0 iso 0 dist 9.24118 8.98299 8.10214 17.6717 12.0548 9.33696 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 7.32478 7.75447 6.72379 10.942 5.38925 9.3402 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 9.48439 6.38935 6.72379 11.6958 5.38925 9.3402 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.17826 5.75236 5.41321 8.34104 6.43754 7.57454 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 5.00515 10.6768 7.32499 10.435 5.9221 7.43663 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 5.00515 10.6768 7.32499 17.6523 13.2297 7.94068 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 9.31417 16.7165 9.24557 14.0108 11.0401 8.90076 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 9.31417 16.7165 9.24557 14.6283 8.85181 6.87131 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 9.31417 16.7165 9.24557 15.4111 11.9142 8.09718 numMergedOcc 0
27 mol 238 unq 3 iso 0 dist 5.56719 11.9863 9.24557 9.75691 11.0401 8.90076 numMergedOcc 0
28 mol 238 unq 4 iso 0 dist 5.56719 11.9863 9.24557 11.0241 8.85181 6.87131 numMergedOcc 0
29 mol 238 unq 5 iso 0 dist 5.56719 11.9863 9.24557 11.8665 11.9142 8.09718 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 7.93997 10.9643 7.08526 9.27954 5.79468 8.71497 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 6.75305 6.28052 5.93616 9.67417 5.12409 5.91213 numMergedOcc 0
32 mol 264 unq 1 iso 0 dist 6.75305 6.28052 5.93616 13.3898 9.67998 7.34094 numMergedOcc 0
33 mol 265 unq 0 iso 0 dist 8.1498 7.43256 6.71375 10.6914 4.65134 5.40318 numMergedOcc 0
34 mol 273 unq 0 iso 0 dist 8.90885 5.06747 8.83865 6.8391 4.89568 8.68913 numMergedOcc 0
35 mol 273 unq 1 iso 0 dist 7.89852 5.62662 9.18157 8.41674 5.14347 8.68913 numMergedOcc 0
36 mol 273 unq 2 iso 0 dist 9.96963 5.06747 9.18157 6.8391 5.14347 8.68913 numMergedOcc 0
