0 mol 24 unq 0 iso 0 dist 4.93188 6.6219 8.32592 12.3067 9.24958 11.0181 10.4135 7.55689 8.28473 8.87744 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 9.24958 8.87744 7.55689 12.3067 4.93188 10.4135 11.0181 8.32592 8.28473 6.6219 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 4.93188 6.6219 8.32592 12.3067 9.24958 11.0181 9.33482 5.11135 9.39954 7.27472 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 9.24958 7.27472 5.11135 12.3067 4.93188 9.33482 11.0181 8.32592 9.39954 6.6219 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 4.93188 5.68215 8.10397 12.3067 9.24958 17.003 10.4135 7.55689 12.6686 8.87744 numMergedOcc 0
5 mol 24 unq 2 iso 1 dist 9.24958 8.87744 7.55689 12.3067 4.93188 10.4135 17.003 8.10397 12.6686 5.68215 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 4.93188 5.68215 8.10397 12.3067 9.24958 17.003 9.33482 5.11135 11.9756 7.27472 numMergedOcc 0
7 mol 24 unq 3 iso 1 dist 9.24958 7.27472 5.11135 12.3067 4.93188 9.33482 17.003 8.10397 11.9756 5.68215 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 5.81959 7.6114 11.4877 10.6808 6.90155 16.617 11.4732 6.86525 18.1606 4.79873 numMergedOcc 0
9 mol 25 unq 0 iso 1 dist 6.90155 4.79873 6.86525 10.6808 5.81959 11.4732 16.617 11.4877 18.1606 7.6114 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 5.81959 7.6114 11.4877 10.6808 6.90155 16.617 17.8732 13.7717 21.0608 9.48085 numMergedOcc 0
11 mol 25 unq 1 iso 1 dist 6.90155 9.48085 13.7717 10.6808 5.81959 17.8732 16.617 11.4877 21.0608 7.6114 numMergedOcc 0
12 mol 60 unq 0 iso 0 dist 7.55695 8.4312 5.71764 5.00018 8.82176 7.48086 14.0656 12.9345 8.42811 9.95132 numMergedOcc 0
13 mol 60 unq 0 iso 1 dist 8.82176 9.95132 12.9345 5.00018 7.55695 14.0656 7.48086 5.71764 8.42811 8.4312 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 8.85586 5.5087 5.50891 8.07446 5.16364 5.61588 10.2939 5.56296 9.76138 8.72682 numMergedOcc 0
15 mol 73 unq 0 iso 1 dist 5.16364 8.72682 5.56296 8.07446 8.85586 10.2939 5.61588 5.50891 9.76138 5.5087 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 8.85586 5.5087 5.50891 8.07446 5.16364 5.61588 8.62198 6.69436 3.32668 6.45841 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 5.16364 6.45841 6.69436 8.07446 8.85586 8.62198 5.61588 5.50891 3.32668 5.5087 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 8.85586 5.5087 5.50891 8.07446 5.16364 5.61588 6.08682 4.75954 5.30471 7.83244 numMergedOcc 0
19 mol 73 unq 2 iso 1 dist 5.16364 7.83244 4.75954 8.07446 8.85586 6.08682 5.61588 5.50891 5.30471 5.5087 numMergedOcc 0
20 mol 73 unq 3 iso 0 dist 8.85586 6.08682 4.75954 8.07446 5.16364 7.83244 10.2939 5.56296 5.81659 8.72682 numMergedOcc 0
21 mol 73 unq 3 iso 1 dist 5.16364 8.72682 5.56296 8.07446 8.85586 10.2939 7.83244 4.75954 5.81659 6.08682 numMergedOcc 0
22 mol 73 unq 4 iso 0 dist 8.85586 6.08682 4.75954 8.07446 5.16364 7.83244 8.62198 6.69436 8.07648 6.45841 numMergedOcc 0
23 mol 73 unq 4 iso 1 dist 5.16364 6.45841 6.69436 8.07446 8.85586 8.62198 7.83244 4.75954 8.07648 6.08682 numMergedOcc 0
24 mol 73 unq 5 iso 0 dist 8.85586 6.08682 4.75954 8.07446 5.16364 7.83244 5.5087 5.50891 5.30471 5.61588 numMergedOcc 0
25 mol 73 unq 5 iso 1 dist 5.16364 5.61588 5.50891 8.07446 8.85586 5.5087 7.83244 4.75954 5.30471 6.08682 numMergedOcc 0
26 mol 73 unq 3 iso 0 dist 7.04044 9.73086 7.8972 5.4148 8.73253 7.4369 12.2276 10.9746 3.30399 8.68662 numMergedOcc 0
27 mol 73 unq 3 iso 1 dist 8.73253 8.68662 10.9746 5.4148 7.04044 12.2276 7.4369 7.8972 3.30399 9.73086 numMergedOcc 0
28 mol 109 unq 0 iso 0 dist 8.67766 9.77497 9.03468 6.48636 8.0831 13.3828 12.448 11.0597 12.3495 9.89083 numMergedOcc 0
29 mol 109 unq 0 iso 1 dist 8.0831 9.89083 11.0597 6.48636 8.67766 12.448 13.3828 9.03468 12.3495 9.77497 numMergedOcc 0
30 mol 112 unq 0 iso 0 dist 6.78038 9.02706 8.90959 4.8896 6.47042 8.47988 9.39168 4.4941 6.38762 8.0427 numMergedOcc 0
31 mol 112 unq 0 iso 1 dist 6.47042 8.0427 4.4941 4.8896 6.78038 9.39168 8.47988 8.90959 6.38762 9.02706 numMergedOcc 0
32 mol 112 unq 1 iso 0 dist 6.78038 9.39168 4.4941 4.8896 6.47042 8.0427 9.02706 8.90959 6.38762 8.47988 numMergedOcc 0
33 mol 112 unq 1 iso 1 dist 6.47042 8.47988 8.90959 4.8896 6.78038 9.02706 8.0427 4.4941 6.38762 9.39168 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 9.77552 8.9192 7.11377 7.65448 8.28642 9.27706 6.59889 4.71678 3.55572 6.70693 numMergedOcc 0
35 mol 152 unq 0 iso 1 dist 8.28642 6.70693 4.71678 7.65448 9.77552 6.59889 9.27706 7.11377 3.55572 8.9192 numMergedOcc 0
36 mol 195 unq 0 iso 0 dist 6.60567 7.41662 9.48862 10.7531 7.62942 16.1768 14.2497 8.89297 15.5821 9.03441 numMergedOcc 0
37 mol 195 unq 0 iso 1 dist 7.62942 9.03441 8.89297 10.7531 6.60567 14.2497 16.1768 9.48862 15.5821 7.41662 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 6.4398 8.82351 6.22195 10.1648 7.32982 12.7605 11.1002 13.0611 15.8902 9.72188 numMergedOcc 0
39 mol 238 unq 0 iso 1 dist 7.32982 9.72188 13.0611 10.1648 6.4398 11.1002 12.7605 6.22195 15.8902 8.82351 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 5.64181 9.08509 6.94907 6.85126 7.61393 11.9549 13.3867 9.9447 15.3975 9.06592 numMergedOcc 0
41 mol 238 unq 1 iso 1 dist 7.61393 9.06592 9.9447 6.85126 5.64181 13.3867 11.9549 6.94907 15.3975 9.08509 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 8.55558 5.85442 7.32929 9.98105 8.59697 6.9899 11.7465 4.67584 8.0048 8.03219 numMergedOcc 0
43 mol 259 unq 0 iso 1 dist 8.59697 8.03219 4.67584 9.98105 8.55558 11.7465 6.9899 7.32929 8.0048 5.85442 numMergedOcc 0
44 mol 259 unq 1 iso 0 dist 8.55558 6.95511 9.55426 9.98105 8.59697 10.4017 11.7465 4.67584 10.1712 8.03219 numMergedOcc 0
45 mol 259 unq 1 iso 1 dist 8.59697 8.03219 4.67584 9.98105 8.55558 11.7465 10.4017 9.55426 10.1712 6.95511 numMergedOcc 0
46 mol 259 unq 2 iso 0 dist 8.55558 6.95511 9.55426 9.98105 8.59697 10.4017 5.85442 7.32929 3.51848 6.9899 numMergedOcc 0
47 mol 259 unq 2 iso 1 dist 8.59697 6.9899 7.32929 9.98105 8.55558 5.85442 10.4017 9.55426 3.51848 6.95511 numMergedOcc 0
