0 mol 11 unq 0 iso 0 dist 9.07476 5.23547 9.89425 10.2486 9.68636 6.54358 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 6.35779 5.46563 9.19512 14.3699 14.3608 9.69044 numMergedOcc 0
2 mol 62 unq 1 iso 0 dist 6.35779 5.46563 9.19512 8.1599 5.9487 6.9103 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 8.4702 3.77705 5.88409 9.46247 4.04753 8.3733 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 5.57551 6.56256 8.19932 14.0352 10.9724 9.8703 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 5.57551 6.56256 8.19932 7.51075 10.6721 7.39665 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 9.56859 11.7024 9.08745 11.4076 8.67853 5.99857 numMergedOcc 0
7 mol 69 unq 1 iso 0 dist 9.56859 11.7024 9.08745 17.4028 10.8149 6.9362 numMergedOcc 0
8 mol 69 unq 2 iso 0 dist 5.75135 4.69809 9.08745 5.47319 8.67853 5.99857 numMergedOcc 0
9 mol 69 unq 3 iso 0 dist 5.75135 4.69809 9.08745 9.8809 10.8149 6.9362 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 6.13459 12.9872 8.30921 10.9618 9.12539 9.22631 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 7.54391 12.9872 7.39732 10.9618 4.25258 9.22631 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 7.74924 3.60451 4.3439 11.5827 4.73066 8.27883 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 7.74924 3.60451 4.3439 10.9272 4.20834 7.7152 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 7.74924 8.25253 6.05855 11.5827 4.73066 5.75428 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 9.86767 7.09333 4.30875 8.89481 13.0914 8.80934 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 6.48066 8.01699 8.21227 13.3351 12.7437 6.02086 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 7.69952 6.21273 8.17928 13.9607 12.1883 8.73533 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 6.99587 3.6848 9.17458 8.96988 9.14919 8.90571 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 6.99587 3.6848 9.17458 9.44405 12.2442 6.61112 numMergedOcc 0
20 mol 186 unq 3 iso 0 dist 4.37577 3.6848 7.36794 8.96988 9.11577 8.90571 numMergedOcc 0
21 mol 186 unq 4 iso 0 dist 4.37577 3.6848 7.36794 9.44405 11.7398 6.61112 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 8.87165 10.0544 4.97301 8.87534 6.49049 6.52816 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 8.93485 6.10058 7.68686 10.044 9.8496 7.21137 numMergedOcc 0
24 mol 205 unq 2 iso 0 dist 8.93485 6.10058 7.68686 12.1752 4.69695 8.4844 numMergedOcc 0
25 mol 205 unq 3 iso 0 dist 5.66636 3.50446 7.68686 8.84602 9.8496 7.21137 numMergedOcc 0
26 mol 205 unq 4 iso 0 dist 5.66636 3.50446 7.68686 8.10287 4.69695 8.4844 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 4.90656 4.91709 8.88902 7.85877 8.89157 5.56538 numMergedOcc 0
28 mol 243 unq 0 iso 0 dist 6.46793 6.76489 9.53137 12.6762 16.0709 8.69318 numMergedOcc 0
29 mol 255 unq 0 iso 0 dist 7.80616 5.98092 8.7958 10.1005 6.08042 6.87333 numMergedOcc 0
30 mol 255 unq 1 iso 0 dist 7.80616 5.98092 8.7958 15.2605 13.4617 9.86207 numMergedOcc 0
31 mol 285 unq 0 iso 0 dist 6.73396 6.01574 7.73438 12.0919 8.33646 7.80862 numMergedOcc 0
