0 mol 25 unq 0 iso 0 dist 7.685 5.81959 9.96732 7.6114 7.1845 11.4877 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 6.34173 9.44459 5.94047 9.33906 6.00679 10.7651 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.70133 7.04044 11.2505 9.73086 6.15714 7.8972 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 4.65521 8.73253 11.2505 8.68662 6.10063 10.9746 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 4.65521 8.73253 11.2505 7.4369 6.15714 7.8972 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 7.13087 5.16364 5.69513 8.72682 10.1413 5.56296 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 7.13087 5.16364 5.69513 6.45841 7.79034 6.69436 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 7.13087 5.16364 5.69513 5.61588 8.97361 5.50891 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 7.13087 5.16364 5.69513 7.83244 10.2983 4.75954 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 8.97793 4.79949 6.81799 9.85905 9.21694 11.0792 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 8.97793 7.27693 6.42322 9.85905 9.21694 6.48293 numMergedOcc 0
11 mol 76 unq 2 iso 0 dist 8.19682 4.79949 8.83525 9.85905 4.00608 11.0792 numMergedOcc 0
12 mol 76 unq 3 iso 0 dist 8.19682 7.27693 5.77727 9.85905 4.00608 6.48293 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 8.72704 9.00544 14.6145 7.82475 12.5061 11.3766 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 8.72704 9.00544 14.6145 5.35782 12.1093 10.5056 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 8.72704 7.12017 6.00843 7.82475 12.5061 13.4027 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 8.72704 7.12017 6.00843 5.35782 12.1093 12.068 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 5.87358 5.34214 5.94311 7.07971 5.15674 6.8409 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 8.66155 5.72642 5.87507 7.69765 9.13361 7.27912 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 8.66155 5.72642 5.87507 9.42082 6.49835 10.5109 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 8.79571 8.20836 9.65798 7.21868 5.67107 4.935 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 6.93652 6.69515 8.00633 8.07097 4.22522 5.25982 numMergedOcc 0
22 mol 142 unq 0 iso 0 dist 7.15475 9.17106 5.14959 7.81207 5.26247 9.38687 numMergedOcc 0
23 mol 142 unq 1 iso 0 dist 7.15475 9.17106 5.14959 7.18002 12.2806 11.093 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 9.52634 5.4969 11.4433 9.63417 4.14392 9.37652 numMergedOcc 0
25 mol 175 unq 1 iso 0 dist 9.52634 6.4318 6.38017 9.63417 4.14392 4.52999 numMergedOcc 0
26 mol 175 unq 2 iso 0 dist 9.52634 7.35824 6.05776 9.63417 4.14392 5.68406 numMergedOcc 0
27 mol 175 unq 3 iso 0 dist 9.52634 9.17364 5.85047 9.63417 4.14392 9.31641 numMergedOcc 0
28 mol 178 unq 0 iso 0 dist 8.96511 4.92088 7.07052 9.11204 5.87125 7.79894 numMergedOcc 0
29 mol 195 unq 0 iso 0 dist 8.36117 7.62942 9.08602 9.03441 9.33403 8.89297 numMergedOcc 0
30 mol 195 unq 1 iso 0 dist 6.77578 7.62942 8.18628 9.03441 4.191 8.89297 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 5.90931 6.85441 10.7974 7.9133 11.2106 9.54203 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 6.97182 6.38157 9.26037 7.46481 11.357 5.73082 numMergedOcc 0
33 mol 214 unq 1 iso 0 dist 6.1175 6.38157 11.353 7.46481 10.9581 5.73082 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 8.53199 8.06216 5.31559 7.33709 11.6662 7.4492 numMergedOcc 0
35 mol 218 unq 1 iso 0 dist 8.53199 5.76954 8.21424 7.33709 11.6662 6.57708 numMergedOcc 0
36 mol 218 unq 2 iso 0 dist 8.53199 6.29511 10.1198 7.33709 11.6662 13.4147 numMergedOcc 0
37 mol 227 unq 0 iso 0 dist 9.62609 5.4694 5.23507 6.91318 11.5454 7.3164 numMergedOcc 0
38 mol 227 unq 1 iso 0 dist 8.17891 8.38865 5.92529 5.23634 4.09934 7.3164 numMergedOcc 0
39 mol 227 unq 2 iso 0 dist 6.95902 5.4694 5.92529 6.91318 4.09934 7.3164 numMergedOcc 0
40 mol 234 unq 0 iso 0 dist 9.5707 7.5366 16.5499 7.81215 11.8229 11.0592 numMergedOcc 0
41 mol 234 unq 1 iso 0 dist 7.85175 7.5366 13.0974 7.81215 10.5304 11.0592 numMergedOcc 0
42 mol 236 unq 0 iso 0 dist 5.34718 8.50331 11.6774 9.3206 13.0765 5.59363 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 9.68513 6.4398 6.48619 8.82351 5.99163 6.22195 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 9.29858 7.32982 6.48619 9.72188 11.7938 13.0611 numMergedOcc 0
45 mol 238 unq 2 iso 0 dist 5.9216 6.4398 5.8333 8.82351 4.40419 6.22195 numMergedOcc 0
46 mol 248 unq 0 iso 0 dist 8.50864 6.17052 6.53154 9.05018 13.1523 7.14182 numMergedOcc 0
47 mol 257 unq 0 iso 0 dist 7.27505 9.69696 5.04668 7.81897 7.89807 5.96144 numMergedOcc 0
48 mol 257 unq 1 iso 0 dist 7.14834 9.95546 5.21218 8.83833 10.0311 15.1307 numMergedOcc 0
49 mol 259 unq 0 iso 0 dist 6.77938 8.59697 12.1218 8.03219 8.90322 4.67584 numMergedOcc 0
50 mol 259 unq 1 iso 0 dist 6.77938 8.59697 12.1218 6.9899 9.2872 7.32929 numMergedOcc 0
51 mol 259 unq 2 iso 0 dist 7.76676 8.59697 9.22203 8.03219 7.27192 4.67584 numMergedOcc 0
52 mol 259 unq 3 iso 0 dist 7.76676 8.59697 9.22203 6.9899 4.61451 7.32929 numMergedOcc 0
53 mol 274 unq 0 iso 0 dist 6.50589 7.4099 12.6784 9.30212 15.0646 5.85225 numMergedOcc 0
54 mol 274 unq 1 iso 0 dist 6.50589 7.4099 12.6784 6.4611 5.70568 13.4431 numMergedOcc 0
