0 mol 2 unq 0 iso 0 dist 6.47123 5.5745 4.92096 9.39095 10.431 6.81721 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 9.38983 9.07663 4.64543 8.44792 6.62276 9.90599 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 9.38983 9.07663 4.64543 4.94198 7.95312 6.28462 numMergedOcc 0
3 mol 10 unq 2 iso 0 dist 9.38983 9.07663 4.64543 9.62353 15.7095 12.3985 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 9.84967 5.5814 8.81758 5.80534 4.20267 6.61952 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 8.39857 9.46247 8.06806 8.4702 10.4968 4.04753 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 7.00234 8.91902 4.33228 9.56859 10.4187 13.2678 numMergedOcc 0
7 mol 69 unq 1 iso 0 dist 7.30652 5.47319 7.0643 5.75135 10.4187 8.67853 numMergedOcc 0
8 mol 69 unq 2 iso 0 dist 7.30652 9.8809 15.5982 5.75135 10.4187 10.8149 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 7.41861 6.4551 10.6009 6.46582 8.58474 3.69293 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.29249 7.5819 9.40813 7.33353 4.51052 10.3949 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 9.29249 7.5819 9.40813 8.55622 5.10352 9.61344 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 8.3565 8.35636 6.66379 7.39028 5.38685 4.56372 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 5.81553 5.17585 4.87668 9.60648 7.8359 5.53441 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 5.16531 6.38163 6.13737 7.04904 4.39633 10.3933 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 5.16531 6.38163 6.13737 5.06053 4.13875 9.27274 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 6.9268 9.3894 10.2681 4.82356 4.63862 6.12885 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 9.73038 9.50322 5.34829 8.52036 6.208 10.3893 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 9.73038 5.82404 9.67676 8.52036 6.208 11.323 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 6.09291 9.46833 6.21354 7.50458 10.1931 13.9883 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 6.09291 9.46833 6.21354 5.79554 10.5136 14.8937 numMergedOcc 0
21 mol 169 unq 2 iso 0 dist 6.09291 9.46833 6.21354 4.22003 10.212 13.4235 numMergedOcc 0
22 mol 180 unq 0 iso 0 dist 8.4925 9.88732 13.9599 7.58661 9.66916 4.38407 numMergedOcc 0
23 mol 180 unq 1 iso 0 dist 8.4925 9.88732 13.9599 6.53993 4.3396 9.89998 numMergedOcc 0
24 mol 185 unq 0 iso 0 dist 8.85182 9.878 6.99799 9.1549 4.49455 5.67139 numMergedOcc 0
25 mol 185 unq 1 iso 0 dist 5.7065 9.878 12.6202 9.1549 9.70184 5.67139 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 9.85777 6.752 12.019 8.93485 10.5366 5.42503 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 8.47833 6.752 5.58339 8.93485 6.82382 5.42503 numMergedOcc 0
28 mol 205 unq 2 iso 0 dist 5.05912 6.752 4.37383 8.93485 9.27501 5.42503 numMergedOcc 0
29 mol 205 unq 3 iso 0 dist 5.47586 8.10287 7.78052 5.66636 6.82382 4.69695 numMergedOcc 0
30 mol 205 unq 4 iso 0 dist 5.47586 5.4913 5.58339 5.66636 6.82382 5.42503 numMergedOcc 0
31 mol 205 unq 5 iso 0 dist 6.60429 8.10287 13.0749 5.66636 9.27501 4.69695 numMergedOcc 0
32 mol 205 unq 6 iso 0 dist 6.60429 5.4913 4.37383 5.66636 9.27501 5.42503 numMergedOcc 0
33 mol 210 unq 0 iso 0 dist 5.70065 8.62103 5.4508 9.49242 5.81094 9.97638 numMergedOcc 0
34 mol 210 unq 1 iso 0 dist 5.70065 8.62103 5.4508 9.25184 6.59517 4.29623 numMergedOcc 0
35 mol 222 unq 0 iso 0 dist 4.87053 7.85877 9.84386 4.90656 5.63584 8.89157 numMergedOcc 0
36 mol 244 unq 0 iso 0 dist 9.06357 7.65388 16.3995 5.16859 8.6028 9.54706 numMergedOcc 0
37 mol 244 unq 1 iso 0 dist 9.06357 7.65388 16.3995 4.79207 12.6842 4.06591 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 8.93518 6.42725 9.50515 6.69951 12.7942 5.97386 numMergedOcc 0
39 mol 265 unq 0 iso 0 dist 9.94957 9.772 17.2234 5.8898 13.1075 7.71667 numMergedOcc 0
