0 mol 39 unq 0 iso 0 dist 7.33969 7.401 6.24515 7.45237 4.85203 6.47855 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 7.45237 7.401 6.47855 7.33969 4.85203 6.24515 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 6.99408 8.26635 7.21995 12.1265 5.79982 7.70625 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 6.99408 13.4503 9.62637 12.1265 5.79982 6.01423 numMergedOcc 0
4 mol 45 unq 2 iso 0 dist 9.3403 5.05051 7.21995 11.989 5.79982 7.70625 numMergedOcc 0
5 mol 45 unq 3 iso 0 dist 9.3403 10.6148 9.62637 11.989 5.79982 6.01423 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 8.81638 9.62267 7.6481 16.2077 13.9773 9.11258 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 8.63333 10.2049 9.11258 17.4911 13.9773 7.6481 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 8.89374 5.49591 9.11258 12.7237 13.9773 7.6481 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 6.46761 5.85698 9.11258 10.5905 13.9773 7.6481 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 9.73139 12.2123 9.11258 15.9825 13.9773 7.6481 numMergedOcc 0
11 mol 87 unq 0 iso 0 dist 7.51358 5.95671 7.2268 8.93296 8.12939 8.31175 numMergedOcc 0
12 mol 87 unq 1 iso 0 dist 8.93296 5.95671 8.31175 7.51358 8.12939 7.2268 numMergedOcc 0
13 mol 87 unq 2 iso 0 dist 8.32298 7.93998 7.2268 14.2495 8.12939 8.31175 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 5.81965 9.50382 5.39745 10.6071 5.06359 6.72712 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 7.06013 11.3858 5.39745 11.3858 5.06359 6.72712 numMergedOcc 0
16 mol 92 unq 2 iso 0 dist 9.70512 7.56363 5.39745 13.3102 5.06359 6.72712 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 6.73814 13.7032 9.83981 11.8516 5.74742 6.13559 numMergedOcc 0
18 mol 114 unq 1 iso 0 dist 6.73814 13.7032 9.83981 17.4431 12.0339 6.51395 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 8.79571 4.57832 8.73604 11.2292 9.57049 8.55616 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 5.42582 5.29786 8.73604 10.9613 9.57049 8.55616 numMergedOcc 0
21 mol 134 unq 2 iso 0 dist 8.6355 5.71679 8.73604 10.9685 9.57049 8.55616 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 7.31468 10.0059 6.46089 12.7571 6.54147 6.97487 numMergedOcc 0
23 mol 143 unq 1 iso 0 dist 7.7056 8.57817 6.46089 10.0562 6.54147 6.97487 numMergedOcc 0
24 mol 155 unq 0 iso 0 dist 7.16254 10.4923 9.0529 9.86313 7.63368 7.55196 numMergedOcc 0
25 mol 155 unq 1 iso 0 dist 9.86313 10.4923 7.55196 7.16254 7.63368 9.0529 numMergedOcc 0
26 mol 155 unq 2 iso 0 dist 9.14392 6.89781 9.0529 7.51198 7.63368 7.55196 numMergedOcc 0
27 mol 155 unq 3 iso 0 dist 7.51198 6.89781 7.55196 9.14392 7.63368 9.0529 numMergedOcc 0
28 mol 175 unq 0 iso 0 dist 9.52634 6.77832 8.99988 11.8821 6.79946 6.99693 numMergedOcc 0
29 mol 175 unq 1 iso 0 dist 9.8589 14.7282 6.99693 15.2767 6.79946 8.99988 numMergedOcc 0
30 mol 175 unq 2 iso 0 dist 7.24908 9.30597 6.99693 13.7618 6.79946 8.99988 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 6.94688 6.6251 9.06217 6.71012 5.3528 7.13252 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 6.71012 6.6251 7.13252 6.94688 5.3528 9.06217 numMergedOcc 0
33 mol 181 unq 2 iso 0 dist 7.98142 5.63555 5.97685 7.37327 6.46849 8.9289 numMergedOcc 0
34 mol 181 unq 3 iso 0 dist 7.37327 5.63555 8.9289 7.98142 6.46849 5.97685 numMergedOcc 0
35 mol 234 unq 0 iso 0 dist 9.5707 10.0059 7.43663 10.475 9.35875 7.94068 numMergedOcc 0
36 mol 234 unq 1 iso 0 dist 9.39181 5.08515 7.94068 11.8897 9.35875 7.43663 numMergedOcc 0
37 mol 234 unq 2 iso 0 dist 9.39181 12.6661 7.22019 16.1792 9.51353 9.25517 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 6.05141 10.7081 8.09718 10.6978 10.9258 8.90076 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 6.05141 10.7081 8.09718 11.1159 5.38691 6.87131 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 6.05141 5.50308 6.73446 10.6978 10.9258 6.62002 numMergedOcc 0
41 mol 238 unq 3 iso 0 dist 6.05141 5.50308 6.73446 11.1159 5.38691 9.69818 numMergedOcc 0
42 mol 238 unq 4 iso 0 dist 8.14172 12.2874 8.90076 12.7101 12.6844 6.87131 numMergedOcc 0
43 mol 238 unq 5 iso 0 dist 8.14172 12.2874 8.90076 8.09066 10.9258 8.09718 numMergedOcc 0
44 mol 238 unq 6 iso 0 dist 8.14172 7.11984 6.62002 12.7101 12.6844 9.69818 numMergedOcc 0
45 mol 238 unq 7 iso 0 dist 8.14172 7.11984 6.62002 8.09066 10.9258 6.73446 numMergedOcc 0
46 mol 238 unq 8 iso 0 dist 8.09066 12.2874 8.09718 8.14172 10.9258 8.90076 numMergedOcc 0
47 mol 238 unq 9 iso 0 dist 8.09066 12.2874 8.09718 12.7101 5.38691 6.87131 numMergedOcc 0
48 mol 238 unq 10 iso 0 dist 8.09066 7.11984 6.73446 8.14172 10.9258 6.62002 numMergedOcc 0
49 mol 238 unq 11 iso 0 dist 8.09066 7.11984 6.73446 12.7101 5.38691 9.69818 numMergedOcc 0
50 mol 238 unq 12 iso 0 dist 6.77463 10.4017 8.90076 9.93432 12.6844 6.87131 numMergedOcc 0
51 mol 238 unq 13 iso 0 dist 6.77463 10.4017 8.90076 7.2766 10.9258 8.09718 numMergedOcc 0
52 mol 238 unq 14 iso 0 dist 6.77463 7.95232 6.62002 9.93432 12.6844 9.69818 numMergedOcc 0
53 mol 238 unq 15 iso 0 dist 6.77463 7.95232 6.62002 7.2766 10.9258 6.73446 numMergedOcc 0
54 mol 238 unq 16 iso 0 dist 7.2766 10.4017 8.09718 6.77463 10.9258 8.90076 numMergedOcc 0
55 mol 238 unq 17 iso 0 dist 7.2766 10.4017 8.09718 9.93432 5.38691 6.87131 numMergedOcc 0
56 mol 238 unq 18 iso 0 dist 7.2766 7.95232 6.73446 6.77463 10.9258 6.62002 numMergedOcc 0
57 mol 238 unq 19 iso 0 dist 7.2766 7.95232 6.73446 9.93432 5.38691 9.69818 numMergedOcc 0
58 mol 259 unq 0 iso 0 dist 7.50578 14.3125 8.92185 11.1925 4.85051 7.7574 numMergedOcc 0
59 mol 259 unq 1 iso 0 dist 8.12892 9.49258 7.7574 11.2456 4.85051 8.92185 numMergedOcc 0
60 mol 264 unq 0 iso 0 dist 9.0012 7.52936 5.91213 9.5784 6.20393 7.34094 numMergedOcc 0
61 mol 264 unq 1 iso 0 dist 9.5784 7.52936 7.34094 9.0012 6.20393 5.91213 numMergedOcc 0
