0 mol 0 unq 0 iso 0 dist 7.65806 9.19007 9.64573 9.56794 6.05328 7.73539 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.65806 9.56794 6.05328 9.19007 9.64573 7.73539 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 8.80762 12.3097 4.95029 numMergedOcc 0
3 mol 7 unq 0 iso 1 dist 8.41585 8.80762 12.3097 7.88043 10.2446 4.95029 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.70481 8.85586 14.8866 7.11 8.05119 8.2073 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 8.70481 7.11 8.05119 8.85586 14.8866 8.2073 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.33898 6.61823 6.08245 6.49956 6.86728 7.67353 numMergedOcc 0
7 mol 92 unq 0 iso 1 dist 9.33898 6.49956 6.86728 6.61823 6.08245 7.67353 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 9.64443 6.61823 7.24315 6.49956 12.163 7.67353 numMergedOcc 0
9 mol 92 unq 1 iso 1 dist 9.64443 6.49956 12.163 6.61823 7.24315 7.67353 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 6.45675 9.00544 11.8512 7.12017 9.52882 10.6713 numMergedOcc 0
11 mol 100 unq 0 iso 1 dist 6.45675 7.12017 9.52882 9.00544 11.8512 10.6713 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 7.47343 9.00544 14.9392 7.12017 12.6602 10.6713 numMergedOcc 0
13 mol 100 unq 1 iso 1 dist 7.47343 7.12017 12.6602 9.00544 14.9392 10.6713 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 8.86688 9.00544 9.01214 7.12017 14.8674 10.6713 numMergedOcc 0
15 mol 100 unq 2 iso 1 dist 8.86688 7.12017 14.8674 9.00544 9.01214 10.6713 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 9.60462 9.92283 17.3924 7.23962 3.98564 16.3997 numMergedOcc 0
17 mol 112 unq 0 iso 1 dist 9.60462 7.23962 3.98564 9.92283 17.3924 16.3997 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 6.37542 6.08167 8.77578 numMergedOcc 0
19 mol 119 unq 0 iso 1 dist 8.73993 6.37542 6.08167 8.56342 4.91132 8.77578 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 7.12972 8.71039 5.89022 6.92648 9.32969 8.59447 numMergedOcc 0
21 mol 131 unq 0 iso 1 dist 7.12972 6.92648 9.32969 8.71039 5.89022 8.59447 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 7.63338 12.8872 7.96704 numMergedOcc 0
23 mol 143 unq 0 iso 1 dist 5.99315 7.63338 12.8872 8.41611 12.7056 7.96704 numMergedOcc 0
24 mol 143 unq 1 iso 0 dist 5.99315 8.41611 12.7056 9.03707 7.76364 11.1397 numMergedOcc 0
25 mol 143 unq 1 iso 1 dist 5.99315 9.03707 7.76364 8.41611 12.7056 11.1397 numMergedOcc 0
26 mol 143 unq 2 iso 0 dist 5.99315 8.41611 12.7056 7.25673 9.23795 10.7886 numMergedOcc 0
27 mol 143 unq 2 iso 1 dist 5.99315 7.25673 9.23795 8.41611 12.7056 10.7886 numMergedOcc 0
28 mol 143 unq 1 iso 0 dist 5.99315 7.63338 12.8872 9.03707 7.76364 11.6633 numMergedOcc 0
29 mol 143 unq 1 iso 1 dist 5.99315 9.03707 7.76364 7.63338 12.8872 11.6633 numMergedOcc 0
30 mol 143 unq 2 iso 0 dist 5.99315 7.63338 12.8872 7.25673 9.23795 6.77212 numMergedOcc 0
31 mol 143 unq 2 iso 1 dist 5.99315 7.25673 9.23795 7.63338 12.8872 6.77212 numMergedOcc 0
32 mol 143 unq 2 iso 0 dist 5.99315 9.03707 7.76364 7.25673 9.23795 6.48609 numMergedOcc 0
33 mol 143 unq 2 iso 1 dist 5.99315 7.25673 9.23795 9.03707 7.76364 6.48609 numMergedOcc 0
34 mol 156 unq 0 iso 0 dist 8.34702 7.73169 5.71107 5.38091 10.7023 11.9157 numMergedOcc 0
35 mol 156 unq 0 iso 1 dist 8.34702 5.38091 10.7023 7.73169 5.71107 11.9157 numMergedOcc 0
36 mol 156 unq 1 iso 0 dist 8.34702 9.43259 6.44255 6.2319 5.82636 4.10961 numMergedOcc 0
37 mol 156 unq 1 iso 1 dist 8.34702 6.2319 5.82636 9.43259 6.44255 4.10961 numMergedOcc 0
38 mol 156 unq 2 iso 0 dist 9.06726 7.73169 11.2067 5.38091 9.00862 11.9157 numMergedOcc 0
39 mol 156 unq 2 iso 1 dist 9.06726 5.38091 9.00862 7.73169 11.2067 11.9157 numMergedOcc 0
40 mol 156 unq 3 iso 0 dist 8.33171 7.73169 9.44399 5.38091 11.1271 11.9157 numMergedOcc 0
41 mol 156 unq 3 iso 1 dist 8.33171 5.38091 11.1271 7.73169 9.44399 11.9157 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 9.29945 5.4969 12.3408 6.4318 8.68081 5.84099 numMergedOcc 0
43 mol 175 unq 0 iso 1 dist 9.29945 6.4318 8.68081 5.4969 12.3408 5.84099 numMergedOcc 0
44 mol 175 unq 1 iso 0 dist 9.29945 5.4969 12.3408 7.35824 12.5754 8.63478 numMergedOcc 0
45 mol 175 unq 1 iso 1 dist 9.29945 7.35824 12.5754 5.4969 12.3408 8.63478 numMergedOcc 0
46 mol 175 unq 2 iso 0 dist 9.29945 5.4969 12.3408 9.17364 10.0424 13.3054 numMergedOcc 0
47 mol 175 unq 2 iso 1 dist 9.29945 9.17364 10.0424 5.4969 12.3408 13.3054 numMergedOcc 0
48 mol 175 unq 1 iso 0 dist 9.29945 6.4318 8.68081 7.35824 12.5754 6.77843 numMergedOcc 0
49 mol 175 unq 1 iso 1 dist 9.29945 7.35824 12.5754 6.4318 8.68081 6.77843 numMergedOcc 0
50 mol 175 unq 2 iso 0 dist 9.29945 6.4318 8.68081 9.17364 10.0424 10.0636 numMergedOcc 0
51 mol 175 unq 2 iso 1 dist 9.29945 9.17364 10.0424 6.4318 8.68081 10.0636 numMergedOcc 0
52 mol 175 unq 2 iso 0 dist 9.29945 7.35824 12.5754 9.17364 10.0424 7.07861 numMergedOcc 0
53 mol 175 unq 2 iso 1 dist 9.29945 9.17364 10.0424 7.35824 12.5754 7.07861 numMergedOcc 0
54 mol 186 unq 0 iso 0 dist 8.87694 6.85302 8.90184 9.98215 12.8303 7.61858 numMergedOcc 0
55 mol 186 unq 0 iso 1 dist 8.87694 9.98215 12.8303 6.85302 8.90184 7.61858 numMergedOcc 0
56 mol 186 unq 1 iso 0 dist 9.09754 6.85302 4.37002 9.98215 4.64235 7.61858 numMergedOcc 0
57 mol 186 unq 1 iso 1 dist 9.09754 9.98215 4.64235 6.85302 4.37002 7.61858 numMergedOcc 0
58 mol 220 unq 0 iso 0 dist 9.23153 5.45036 6.17628 9.97586 14.0253 11.5418 numMergedOcc 0
59 mol 220 unq 0 iso 1 dist 9.23153 9.97586 14.0253 5.45036 6.17628 11.5418 numMergedOcc 0
60 mol 220 unq 1 iso 0 dist 8.24498 5.45036 10.4136 9.97586 6.20511 11.5418 numMergedOcc 0
61 mol 220 unq 1 iso 1 dist 8.24498 9.97586 6.20511 5.45036 10.4136 11.5418 numMergedOcc 0
62 mol 252 unq 0 iso 0 dist 8.1148 6.11473 9.32326 8.47784 5.89666 8.15279 numMergedOcc 0
63 mol 252 unq 0 iso 1 dist 8.1148 8.47784 5.89666 6.11473 9.32326 8.15279 numMergedOcc 0
64 mol 252 unq 1 iso 0 dist 8.1148 6.11473 9.32326 6.53679 11.056 6.75213 numMergedOcc 0
65 mol 252 unq 1 iso 1 dist 8.1148 6.53679 11.056 6.11473 9.32326 6.75213 numMergedOcc 0
66 mol 252 unq 1 iso 0 dist 8.1148 8.47784 5.89666 6.53679 11.056 12.9718 numMergedOcc 0
67 mol 252 unq 1 iso 1 dist 8.1148 6.53679 11.056 8.47784 5.89666 12.9718 numMergedOcc 0
68 mol 252 unq 2 iso 0 dist 8.1715 6.11473 5.72783 8.47784 10.672 8.15279 numMergedOcc 0
69 mol 252 unq 2 iso 1 dist 8.1715 8.47784 10.672 6.11473 5.72783 8.15279 numMergedOcc 0
70 mol 252 unq 3 iso 0 dist 8.1715 6.11473 5.72783 6.53679 5.23748 6.75213 numMergedOcc 0
71 mol 252 unq 3 iso 1 dist 8.1715 6.53679 5.23748 6.11473 5.72783 6.75213 numMergedOcc 0
72 mol 252 unq 3 iso 0 dist 8.1715 8.47784 10.672 6.53679 5.23748 12.9718 numMergedOcc 0
73 mol 252 unq 3 iso 1 dist 8.1715 6.53679 5.23748 8.47784 10.672 12.9718 numMergedOcc 0
74 mol 258 unq 0 iso 0 dist 6.42289 7.99477 7.42673 7.86627 6.44209 7.46428 numMergedOcc 0
75 mol 258 unq 0 iso 1 dist 6.42289 7.86627 6.44209 7.99477 7.42673 7.46428 numMergedOcc 0
76 mol 274 unq 0 iso 0 dist 7.56915 9.56685 5.90436 8.49922 9.27829 7.56905 numMergedOcc 0
77 mol 274 unq 0 iso 1 dist 7.56915 8.49922 9.27829 9.56685 5.90436 7.56905 numMergedOcc 0
78 mol 274 unq 1 iso 0 dist 8.49997 9.56685 12.106 8.49922 12.9674 7.56905 numMergedOcc 0
79 mol 274 unq 1 iso 1 dist 8.49997 8.49922 12.9674 9.56685 12.106 7.56905 numMergedOcc 0
