0 mol 16 unq 0 iso 0 dist 9.47421 6.06561 6.58035 7.46752 5.94084 5.46498 12.3246 10.9633 8.41862 6.73355 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 5.36258 6.57145 8.23643 10.7917 11.0832 7.20519 10.4026 12.7954 8.78293 5.31524 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 5.36258 6.57145 8.23643 10.7917 11.0832 7.20519 12.7832 11.0033 7.82528 10.4988 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 5.36258 6.57145 8.23643 8.18518 6.55187 4.54938 10.4026 12.7954 8.78293 10.9543 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 5.36258 6.57145 8.23643 8.18518 6.55187 4.54938 12.7832 11.0033 7.82528 5.14627 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 5.36258 6.57145 8.23643 12.9091 12.3093 6.864 10.4026 12.7954 8.78293 11.4401 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 5.36258 6.57145 8.23643 12.9091 12.3093 6.864 12.7832 11.0033 7.82528 4.69858 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 7.41608 5.81718 9.80862 9.85387 9.35964 6.18601 6.36583 4.84196 8.43904 10.3457 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 6.36583 6.24736 6.19042 11.4157 6.35763 9.87172 10.0892 6.59581 9.38288 11.7228 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 6.36583 6.24736 6.19042 11.4157 6.35763 9.87172 12.6501 8.58342 7.44174 7.36192 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 6.36583 5.81718 8.43904 9.85387 10.3457 6.18601 7.41608 4.84196 9.80862 9.35964 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 5.45159 13.8098 8.59981 20.3291 14.9761 8.14887 17.9769 12.7129 7.34519 7.41404 numMergedOcc 0
12 mol 127 unq 1 iso 0 dist 5.45159 13.8098 8.59981 18.5612 14.085 9.30299 17.9769 12.7129 7.34519 13.1312 numMergedOcc 0
13 mol 127 unq 2 iso 0 dist 4.9835 11.5038 8.59981 16.9209 14.9761 8.14887 16.5411 12.7129 7.34519 7.41404 numMergedOcc 0
14 mol 127 unq 3 iso 0 dist 4.9835 11.5038 8.59981 13.8284 14.085 9.30299 16.5411 12.7129 7.34519 13.1312 numMergedOcc 0
15 mol 155 unq 0 iso 0 dist 8.54318 10.0656 7.16254 13.7468 6.3845 6.23493 14.9922 7.63368 9.86313 5.86939 numMergedOcc 0
16 mol 155 unq 1 iso 0 dist 8.54318 12.7034 9.14392 13.7468 6.3845 7.46303 14.9922 7.63368 7.51198 5.86939 numMergedOcc 0
17 mol 155 unq 2 iso 0 dist 8.54318 12.7034 9.14392 18.2865 12.1814 6.43582 14.9922 7.63368 7.51198 6.34186 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 5.00266 6.19375 6.99002 15.0279 15.9568 9.23153 12.6808 11.5311 6.84247 6.7067 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 5.00266 6.19375 6.99002 13.2107 11.1321 8.24498 12.6808 11.5311 6.84247 6.05129 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 8.76325 6.87755 7.06793 12.2287 9.36098 8.95269 12.0468 6.88258 6.67585 5.29877 numMergedOcc 0
21 mol 224 unq 1 iso 0 dist 8.85101 11.0252 7.06793 12.7763 9.36098 8.95269 13.64 6.88258 6.67585 5.29877 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 6.37369 10.8811 9.62609 17.255 14.6185 8.65997 12.5474 8.55671 6.95902 6.43754 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 5.77356 5.27568 7.17676 12.96 11.8759 8.03456 9.24309 7.88539 6.68463 9.07822 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 5.77356 5.27568 7.17676 10.8312 11.3552 6.84306 9.24309 7.88539 6.68463 11.6837 numMergedOcc 0
25 mol 236 unq 2 iso 0 dist 5.77356 5.27568 7.17676 11.2195 6.04825 9.99038 9.24309 7.88539 6.68463 8.8265 numMergedOcc 0
26 mol 236 unq 3 iso 0 dist 5.77356 5.27568 7.17676 14.0541 12.6468 9.78037 9.24309 7.88539 6.68463 5.80136 numMergedOcc 0
27 mol 236 unq 4 iso 0 dist 5.77356 5.27568 7.17676 6.73134 6.40312 8.35971 9.24309 7.88539 6.68463 6.2568 numMergedOcc 0
28 mol 236 unq 5 iso 0 dist 9.24309 5.27568 6.68463 12.96 9.07822 8.03456 5.77356 7.88539 7.17676 11.8759 numMergedOcc 0
29 mol 236 unq 6 iso 0 dist 9.24309 5.27568 6.68463 10.8312 11.6837 6.84306 5.77356 7.88539 7.17676 11.3552 numMergedOcc 0
30 mol 236 unq 7 iso 0 dist 9.24309 5.27568 6.68463 11.2195 8.8265 9.99038 5.77356 7.88539 7.17676 6.04825 numMergedOcc 0
31 mol 236 unq 8 iso 0 dist 9.24309 5.27568 6.68463 14.0541 5.80136 9.78037 5.77356 7.88539 7.17676 12.6468 numMergedOcc 0
32 mol 236 unq 9 iso 0 dist 9.24309 5.27568 6.68463 6.73134 6.2568 8.35971 5.77356 7.88539 7.17676 6.40312 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 6.40309 7.01206 7.67322 13.8075 12.6986 7.31233 11.1838 10.677 6.55759 10.4664 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 6.40309 7.01206 7.67322 13.8075 12.6986 7.31233 9.40892 5.44694 7.02475 11.2717 numMergedOcc 0
35 mol 238 unq 2 iso 0 dist 6.40309 7.01206 7.67322 13.8075 12.6986 7.31233 11.5826 9.50847 7.19008 5.17471 numMergedOcc 0
