0 mol 24 unq 0 iso 0 dist 9.90845 13.3639 6.72502 10.5945 8.09311 9.94429 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.90845 13.3639 6.72502 17.5782 9.05357 6.88355 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 6.80741 4.7418 8.63486 14.8094 9.2898 15.8558 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.48625 13.5596 8.64015 11.1377 6.56212 4.88345 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 6.27749 11.7103 8.82176 4.44758 9.95132 12.9345 numMergedOcc 0
5 mol 60 unq 1 iso 0 dist 6.27749 11.7103 8.82176 7.32774 7.48086 5.71764 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 6.31633 5.70461 8.67766 6.54844 9.77497 9.03468 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 7.21115 5.70461 8.0831 7.53568 9.89083 11.0597 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 9.42766 16.5854 8.56342 16.57 7.64052 6.29394 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 9.42766 9.58167 6.37542 16.57 7.64052 9.64502 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.42756 8.81081 6.69515 10.189 8.07097 5.25982 numMergedOcc 0
11 mol 142 unq 0 iso 0 dist 7.57458 9.05212 9.17106 9.23267 7.81207 9.38687 numMergedOcc 0
12 mol 142 unq 1 iso 0 dist 7.57458 9.05212 9.17106 13.4776 7.18002 11.093 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 8.89982 10.4193 9.77552 9.0696 6.59889 4.71678 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 8.89982 10.4193 9.77552 9.83062 8.9192 7.11377 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 9.00898 11.9192 5.4969 14.8552 9.63417 9.37652 numMergedOcc 0
16 mol 175 unq 1 iso 0 dist 9.00898 11.0956 6.4318 14.8552 9.63417 4.52999 numMergedOcc 0
17 mol 175 unq 2 iso 0 dist 9.00898 15.1521 7.35824 14.8552 9.63417 5.68406 numMergedOcc 0
18 mol 175 unq 3 iso 0 dist 9.00898 13.624 9.17364 14.8552 9.63417 9.31641 numMergedOcc 0
19 mol 178 unq 0 iso 0 dist 8.0974 5.49143 4.92088 9.80877 9.11204 7.79894 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 7.66381 12.2047 9.83476 6.01218 7.2793 6.38897 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 7.66381 12.2047 9.83476 5.27656 9.51091 8.93258 numMergedOcc 0
22 mol 186 unq 2 iso 0 dist 7.66381 12.2047 9.83476 13.9441 7.85184 11.924 numMergedOcc 0
23 mol 186 unq 3 iso 0 dist 7.66381 5.77691 6.258 6.01218 7.2793 8.88593 numMergedOcc 0
24 mol 186 unq 4 iso 0 dist 7.66381 5.77691 6.258 5.27656 9.51091 8.7188 numMergedOcc 0
25 mol 186 unq 5 iso 0 dist 7.66381 5.77691 6.258 13.9441 7.85184 9.8366 numMergedOcc 0
26 mol 207 unq 0 iso 0 dist 5.08312 7.39702 8.85547 4.43093 5.12567 5.34977 numMergedOcc 0
27 mol 207 unq 1 iso 0 dist 5.08312 7.39702 8.85547 5.15938 6.0563 5.34897 numMergedOcc 0
28 mol 207 unq 2 iso 0 dist 5.08312 7.39702 8.85547 7.6274 8.1244 9.86978 numMergedOcc 0
29 mol 207 unq 3 iso 0 dist 5.08312 9.2787 7.96797 4.43093 5.12567 5.47626 numMergedOcc 0
30 mol 207 unq 4 iso 0 dist 5.08312 9.2787 7.96797 5.15938 6.0563 7.64813 numMergedOcc 0
31 mol 207 unq 5 iso 0 dist 5.08312 9.2787 7.96797 7.6274 8.1244 11.9725 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 8.49704 5.20422 6.38157 4.112 7.46481 5.73082 numMergedOcc 0
33 mol 222 unq 0 iso 0 dist 8.7347 11.5459 8.48341 15.1289 6.74196 9.0716 numMergedOcc 0
34 mol 222 unq 1 iso 0 dist 8.7347 11.5459 8.48341 13.6078 8.36842 10.5383 numMergedOcc 0
35 mol 222 unq 2 iso 0 dist 8.7347 11.5459 8.48341 13.6261 9.75472 8.90753 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 9.31417 16.0652 7.32982 13.338 9.72188 13.0611 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 5.56719 11.468 7.32982 12.046 9.72188 13.0611 numMergedOcc 0
38 mol 257 unq 0 iso 0 dist 8.18901 10.5747 9.69696 6.70515 7.81897 5.96144 numMergedOcc 0
39 mol 257 unq 1 iso 0 dist 5.36776 10.6191 9.95546 11.9011 8.83833 15.1307 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 7.93997 13.6686 8.55558 7.06301 5.85442 7.32929 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 7.93997 13.6686 8.55558 7.80863 6.95511 9.55426 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 6.00877 12.8903 7.4099 15.2854 9.30212 5.85225 numMergedOcc 0
43 mol 274 unq 1 iso 0 dist 6.00877 12.8903 7.4099 5.9397 6.4611 13.4431 numMergedOcc 0
44 mol 274 unq 2 iso 0 dist 8.66451 16.0267 7.4099 16.784 9.30212 5.85225 numMergedOcc 0
45 mol 274 unq 3 iso 0 dist 8.66451 16.0267 7.4099 4.89003 6.4611 13.4431 numMergedOcc 0
46 mol 277 unq 0 iso 0 dist 9.98528 7.01469 6.57903 19.5312 9.57499 14.6871 numMergedOcc 0
47 mol 285 unq 0 iso 0 dist 8.71213 6.93502 5.31728 13.9922 7.80862 8.05127 numMergedOcc 0
