0 mol 33 unq 0 iso 0 dist 8.04019 7.44828 14.7604 7.82815 3.85975 13.4442 6.53195 7.85245 11.1555 9.67688 numMergedOcc 0
1 mol 33 unq 0 iso 1 dist 7.44828 8.04019 14.7604 7.82815 13.4442 3.85975 6.53195 11.1555 7.85245 9.67688 numMergedOcc 0
2 mol 192 unq 0 iso 0 dist 7.36571 9.80122 11.1205 5.77035 6.62595 9.6618 5.03588 3.9335 10.9472 3.41605 numMergedOcc 0
3 mol 192 unq 0 iso 1 dist 9.80122 7.36571 11.1205 5.77035 9.6618 6.62595 5.03588 10.9472 3.9335 3.41605 numMergedOcc 0
4 mol 192 unq 1 iso 0 dist 7.36571 9.17137 8.74203 5.77035 6.62595 12.1003 5.03588 3.9335 10.6087 3.41605 numMergedOcc 0
5 mol 192 unq 1 iso 1 dist 9.17137 7.36571 8.74203 5.77035 12.1003 6.62595 5.03588 10.6087 3.9335 3.41605 numMergedOcc 0
6 mol 192 unq 1 iso 0 dist 9.80122 9.17137 8.95038 5.77035 9.6618 12.1003 5.03588 10.9472 10.6087 3.41605 numMergedOcc 0
7 mol 192 unq 1 iso 1 dist 9.17137 9.80122 8.95038 5.77035 12.1003 9.6618 5.03588 10.6087 10.9472 3.41605 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 6.20044 8.41232 6.2357 5.81438 7.35194 5.87202 8.77524 6.42785 7.66776 5.80328 numMergedOcc 0
9 mol 204 unq 0 iso 1 dist 8.41232 6.20044 6.2357 5.81438 5.87202 7.35194 8.77524 7.66776 6.42785 5.80328 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 4.81837 6.43519 9.98031 5.63283 4.7106 10.4922 8.83628 9.70513 6.82382 8.93955 numMergedOcc 0
11 mol 205 unq 0 iso 1 dist 6.43519 4.81837 9.98031 5.63283 10.4922 4.7106 8.83628 6.82382 9.70513 8.93955 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 5.86911 7.89258 5.68826 8.44407 4.54444 5.33718 9.46274 14.085 12.4498 15.9748 numMergedOcc 0
13 mol 214 unq 0 iso 1 dist 7.89258 5.86911 5.68826 8.44407 5.33718 4.54444 9.46274 12.4498 14.085 15.9748 numMergedOcc 0
14 mol 214 unq 1 iso 0 dist 5.86911 7.89258 5.68826 6.0155 7.05353 5.12324 9.46274 14.085 12.4498 10.9698 numMergedOcc 0
15 mol 214 unq 1 iso 1 dist 7.89258 5.86911 5.68826 6.0155 5.12324 7.05353 9.46274 12.4498 14.085 10.9698 numMergedOcc 0
16 mol 214 unq 2 iso 0 dist 5.86911 7.89258 5.68826 8.89981 12.9344 12.8738 9.46274 14.085 12.4498 5.22858 numMergedOcc 0
17 mol 214 unq 2 iso 1 dist 7.89258 5.86911 5.68826 8.89981 12.8738 12.9344 9.46274 12.4498 14.085 5.22858 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 9.48772 5.53369 9.10334 9.81589 9.73819 8.86983 9.48672 4.65265 9.41237 5.80505 numMergedOcc 0
19 mol 258 unq 0 iso 1 dist 5.53369 9.48772 9.10334 9.81589 8.86983 9.73819 9.48672 9.41237 4.65265 5.80505 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 9.48772 8.57274 10.4538 9.81589 9.73819 15.1125 9.48672 4.65265 13.3588 5.80505 numMergedOcc 0
21 mol 258 unq 1 iso 1 dist 8.57274 9.48772 10.4538 9.81589 15.1125 9.73819 9.48672 13.3588 4.65265 5.80505 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 5.53369 8.57274 6.94631 9.81589 8.86983 15.1125 9.48672 9.41237 13.3588 5.80505 numMergedOcc 0
23 mol 258 unq 1 iso 1 dist 8.57274 5.53369 6.94631 9.81589 15.1125 8.86983 9.48672 13.3588 9.41237 5.80505 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 5.78262 7.6489 8.60201 8.66133 5.53908 12.7274 8.13393 8.94124 7.92723 9.06868 numMergedOcc 0
25 mol 273 unq 0 iso 1 dist 7.6489 5.78262 8.60201 8.66133 12.7274 5.53908 8.13393 7.92723 8.94124 9.06868 numMergedOcc 0
26 mol 273 unq 1 iso 0 dist 5.78262 7.6489 8.60201 6.95569 12.7125 10.8576 8.13393 8.94124 7.92723 11.8515 numMergedOcc 0
27 mol 273 unq 1 iso 1 dist 7.6489 5.78262 8.60201 6.95569 10.8576 12.7125 8.13393 7.92723 8.94124 11.8515 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 7.872 6.32984 8.70014 5.49829 3.05975 5.76392 7.08681 11.2722 3.57803 8.34667 numMergedOcc 0
29 mol 285 unq 0 iso 1 dist 6.32984 7.872 8.70014 5.49829 5.76392 3.05975 7.08681 3.57803 11.2722 8.34667 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 7.872 6.32984 8.70014 5.49829 3.05975 5.76392 4.95596 9.22192 11.1099 8.31211 numMergedOcc 0
31 mol 285 unq 1 iso 1 dist 6.32984 7.872 8.70014 5.49829 5.76392 3.05975 4.95596 11.1099 9.22192 8.31211 numMergedOcc 0
32 mol 285 unq 2 iso 0 dist 7.872 6.32984 8.70014 5.49829 3.05975 5.76392 6.3508 8.37376 11.5761 8.08247 numMergedOcc 0
33 mol 285 unq 2 iso 1 dist 6.32984 7.872 8.70014 5.49829 5.76392 3.05975 6.3508 11.5761 8.37376 8.08247 numMergedOcc 0
34 mol 285 unq 3 iso 0 dist 7.872 6.32984 8.70014 5.49829 3.05975 5.76392 8.3005 6.76283 11.5053 7.23311 numMergedOcc 0
35 mol 285 unq 3 iso 1 dist 6.32984 7.872 8.70014 5.49829 5.76392 3.05975 8.3005 11.5053 6.76283 7.23311 numMergedOcc 0
36 mol 285 unq 4 iso 0 dist 7.872 6.32984 8.70014 6.24134 11.5704 4.4744 7.08681 11.2722 3.57803 4.98469 numMergedOcc 0
37 mol 285 unq 4 iso 1 dist 6.32984 7.872 8.70014 6.24134 4.4744 11.5704 7.08681 3.57803 11.2722 4.98469 numMergedOcc 0
38 mol 285 unq 5 iso 0 dist 7.872 6.32984 8.70014 6.24134 11.5704 4.4744 4.95596 9.22192 11.1099 10.5542 numMergedOcc 0
39 mol 285 unq 5 iso 1 dist 6.32984 7.872 8.70014 6.24134 4.4744 11.5704 4.95596 11.1099 9.22192 10.5542 numMergedOcc 0
40 mol 285 unq 6 iso 0 dist 7.872 6.32984 8.70014 6.24134 11.5704 4.4744 6.3508 8.37376 11.5761 12.5361 numMergedOcc 0
41 mol 285 unq 6 iso 1 dist 6.32984 7.872 8.70014 6.24134 4.4744 11.5704 6.3508 11.5761 8.37376 12.5361 numMergedOcc 0
42 mol 285 unq 7 iso 0 dist 7.872 6.32984 8.70014 6.24134 11.5704 4.4744 8.3005 6.76283 11.5053 11.9464 numMergedOcc 0
43 mol 285 unq 7 iso 1 dist 6.32984 7.872 8.70014 6.24134 4.4744 11.5704 8.3005 11.5053 6.76283 11.9464 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 6.96774 7.14859 7.11169 7.19568 3.85958 5.93557 9.31611 5.03775 8.95194 8.54063 numMergedOcc 0
45 mol 287 unq 0 iso 1 dist 7.14859 6.96774 7.11169 7.19568 5.93557 3.85958 9.31611 8.95194 5.03775 8.54063 numMergedOcc 0
46 mol 288 unq 0 iso 0 dist 6.96774 7.14859 7.11169 7.19568 3.85958 5.93557 9.31611 5.03775 8.95194 8.54063 numMergedOcc 0
47 mol 288 unq 0 iso 1 dist 7.14859 6.96774 7.11169 7.19568 5.93557 3.85958 9.31611 8.95194 5.03775 8.54063 numMergedOcc 0
48 mol 289 unq 0 iso 0 dist 6.96774 7.14859 7.11169 7.19568 3.85958 5.93557 9.31611 5.03775 8.95194 8.54063 numMergedOcc 0
49 mol 289 unq 0 iso 1 dist 7.14859 6.96774 7.11169 7.19568 5.93557 3.85958 9.31611 8.95194 5.03775 8.54063 numMergedOcc 0
