0 mol 4 unq 0 iso 0 dist 6.12485 9.04027 9.77707 7.88748 4.10578 6.87439 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 9.04027 6.12485 9.77707 7.88748 6.87439 4.10578 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 9.5937 7.34681 11.0023 8.6745 3.79709 11.8805 numMergedOcc 0
3 mol 17 unq 0 iso 1 dist 7.34681 9.5937 11.0023 8.6745 11.8805 3.79709 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 8.04019 7.44828 14.7604 7.82815 3.85975 13.4442 numMergedOcc 0
5 mol 33 unq 0 iso 1 dist 7.44828 8.04019 14.7604 7.82815 13.4442 3.85975 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 5.24742 9.24055 5.25318 8.21139 3.82233 6.39865 numMergedOcc 0
7 mol 55 unq 0 iso 1 dist 9.24055 5.24742 5.25318 8.21139 6.39865 3.82233 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 9.06142 8.41264 6.73667 6.34748 9.83589 12.3293 numMergedOcc 0
9 mol 56 unq 0 iso 1 dist 8.41264 9.06142 6.73667 6.34748 12.3293 9.83589 numMergedOcc 0
10 mol 56 unq 1 iso 0 dist 9.06142 8.41264 6.73667 8.25594 13.3076 9.40102 numMergedOcc 0
11 mol 56 unq 1 iso 1 dist 8.41264 9.06142 6.73667 8.25594 9.40102 13.3076 numMergedOcc 0
12 mol 67 unq 0 iso 0 dist 8.27009 5.80736 8.61446 6.44825 11.2455 3.83735 numMergedOcc 0
13 mol 67 unq 0 iso 1 dist 5.80736 8.27009 8.61446 6.44825 3.83735 11.2455 numMergedOcc 0
14 mol 87 unq 0 iso 0 dist 6.22441 5.91543 5.78586 6.21094 6.42891 4.13495 numMergedOcc 0
15 mol 87 unq 0 iso 1 dist 5.91543 6.22441 5.78586 6.21094 4.13495 6.42891 numMergedOcc 0
16 mol 87 unq 1 iso 0 dist 6.22441 5.91543 5.78586 8.44482 10.8407 6.37184 numMergedOcc 0
17 mol 87 unq 1 iso 1 dist 5.91543 6.22441 5.78586 8.44482 6.37184 10.8407 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.92801 9.40718 12.0946 8.39573 3.97523 9.76508 numMergedOcc 0
19 mol 181 unq 0 iso 1 dist 9.40718 8.92801 12.0946 8.39573 9.76508 3.97523 numMergedOcc 0
20 mol 187 unq 0 iso 0 dist 5.58167 8.0501 11.6883 5.7938 8.06583 3.94358 numMergedOcc 0
21 mol 187 unq 0 iso 1 dist 8.0501 5.58167 11.6883 5.7938 3.94358 8.06583 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 7.36571 9.80122 11.1205 5.77035 6.62595 9.6618 numMergedOcc 0
23 mol 192 unq 0 iso 1 dist 9.80122 7.36571 11.1205 5.77035 9.6618 6.62595 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 7.36571 9.17137 8.74203 5.77035 6.62595 12.1003 numMergedOcc 0
25 mol 192 unq 1 iso 1 dist 9.17137 7.36571 8.74203 5.77035 12.1003 6.62595 numMergedOcc 0
26 mol 192 unq 1 iso 0 dist 9.80122 9.17137 8.95038 5.77035 9.6618 12.1003 numMergedOcc 0
27 mol 192 unq 1 iso 1 dist 9.17137 9.80122 8.95038 5.77035 12.1003 9.6618 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 6.20044 8.41232 6.2357 5.81438 7.35194 5.87202 numMergedOcc 0
29 mol 204 unq 0 iso 1 dist 8.41232 6.20044 6.2357 5.81438 5.87202 7.35194 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 4.81837 6.43519 9.98031 5.63283 4.7106 10.4922 numMergedOcc 0
31 mol 205 unq 0 iso 1 dist 6.43519 4.81837 9.98031 5.63283 10.4922 4.7106 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 5.86911 7.89258 5.68826 8.44407 4.54444 5.33718 numMergedOcc 0
33 mol 214 unq 0 iso 1 dist 7.89258 5.86911 5.68826 8.44407 5.33718 4.54444 numMergedOcc 0
34 mol 214 unq 1 iso 0 dist 5.86911 7.89258 5.68826 6.0155 7.05353 5.12324 numMergedOcc 0
35 mol 214 unq 1 iso 1 dist 7.89258 5.86911 5.68826 6.0155 5.12324 7.05353 numMergedOcc 0
36 mol 214 unq 2 iso 0 dist 5.86911 7.89258 5.68826 8.89981 12.9344 12.8738 numMergedOcc 0
37 mol 214 unq 2 iso 1 dist 7.89258 5.86911 5.68826 8.89981 12.8738 12.9344 numMergedOcc 0
38 mol 223 unq 0 iso 0 dist 6.97426 8.87456 4.71901 7.5808 9.46802 13.1129 numMergedOcc 0
39 mol 223 unq 0 iso 1 dist 8.87456 6.97426 4.71901 7.5808 13.1129 9.46802 numMergedOcc 0
40 mol 258 unq 0 iso 0 dist 9.48772 5.53369 9.10334 9.81589 9.73819 8.86983 numMergedOcc 0
41 mol 258 unq 0 iso 1 dist 5.53369 9.48772 9.10334 9.81589 8.86983 9.73819 numMergedOcc 0
42 mol 258 unq 1 iso 0 dist 9.48772 8.57274 10.4538 9.81589 9.73819 15.1125 numMergedOcc 0
43 mol 258 unq 1 iso 1 dist 8.57274 9.48772 10.4538 9.81589 15.1125 9.73819 numMergedOcc 0
44 mol 258 unq 1 iso 0 dist 5.53369 8.57274 6.94631 9.81589 8.86983 15.1125 numMergedOcc 0
45 mol 258 unq 1 iso 1 dist 8.57274 5.53369 6.94631 9.81589 15.1125 8.86983 numMergedOcc 0
46 mol 258 unq 2 iso 0 dist 8.10903 7.25618 5.31174 9.6327 8.78474 11.3267 numMergedOcc 0
47 mol 258 unq 2 iso 1 dist 7.25618 8.10903 5.31174 9.6327 11.3267 8.78474 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 8.54422 7.67473 4.85022 8.40328 11.0103 8.71577 numMergedOcc 0
49 mol 259 unq 0 iso 1 dist 7.67473 8.54422 4.85022 8.40328 8.71577 11.0103 numMergedOcc 0
50 mol 259 unq 1 iso 0 dist 8.54422 7.67473 4.85022 8.2518 10.099 6.47425 numMergedOcc 0
51 mol 259 unq 1 iso 1 dist 7.67473 8.54422 4.85022 8.2518 6.47425 10.099 numMergedOcc 0
52 mol 266 unq 0 iso 0 dist 6.57444 7.9555 5.77131 8.95841 10.6488 9.70494 numMergedOcc 0
53 mol 266 unq 0 iso 1 dist 7.9555 6.57444 5.77131 8.95841 9.70494 10.6488 numMergedOcc 0
54 mol 273 unq 0 iso 0 dist 5.78262 7.6489 8.60201 8.66133 5.53908 12.7274 numMergedOcc 0
55 mol 273 unq 0 iso 1 dist 7.6489 5.78262 8.60201 8.66133 12.7274 5.53908 numMergedOcc 0
56 mol 273 unq 1 iso 0 dist 5.78262 7.6489 8.60201 6.95569 12.7125 10.8576 numMergedOcc 0
57 mol 273 unq 1 iso 1 dist 7.6489 5.78262 8.60201 6.95569 10.8576 12.7125 numMergedOcc 0
58 mol 285 unq 0 iso 0 dist 7.872 6.32984 8.70014 5.49829 3.05975 5.76392 numMergedOcc 0
59 mol 285 unq 0 iso 1 dist 6.32984 7.872 8.70014 5.49829 5.76392 3.05975 numMergedOcc 0
60 mol 285 unq 1 iso 0 dist 7.872 6.32984 8.70014 6.24134 11.5704 4.4744 numMergedOcc 0
61 mol 285 unq 1 iso 1 dist 6.32984 7.872 8.70014 6.24134 4.4744 11.5704 numMergedOcc 0
62 mol 287 unq 0 iso 0 dist 6.96774 7.14859 7.11169 7.19568 3.85958 5.93557 numMergedOcc 0
63 mol 287 unq 0 iso 1 dist 7.14859 6.96774 7.11169 7.19568 5.93557 3.85958 numMergedOcc 0
64 mol 288 unq 0 iso 0 dist 6.96774 7.14859 7.11169 7.19568 3.85958 5.93557 numMergedOcc 0
65 mol 288 unq 0 iso 1 dist 7.14859 6.96774 7.11169 7.19568 5.93557 3.85958 numMergedOcc 0
66 mol 289 unq 0 iso 0 dist 6.96774 7.14859 7.11169 7.19568 3.85958 5.93557 numMergedOcc 0
67 mol 289 unq 0 iso 1 dist 7.14859 6.96774 7.11169 7.19568 5.93557 3.85958 numMergedOcc 0
