0 mol 93 unq 0 iso 0 dist 9.81831 6.30447 9.12858 16.1023 7.8435 12.4934 21.9971 12.5638 18.9177 6.67678 numMergedOcc 0
1 mol 93 unq 0 iso 1 dist 9.12858 6.30447 9.81831 12.4934 7.8435 16.1023 18.9177 12.5638 21.9971 6.67678 numMergedOcc 0
2 mol 93 unq 1 iso 0 dist 9.81831 6.30447 9.12858 16.1023 7.8435 12.4934 21.7795 12.4215 18.5963 7.24956 numMergedOcc 0
3 mol 93 unq 1 iso 1 dist 9.12858 6.30447 9.81831 12.4934 7.8435 16.1023 18.5963 12.4215 21.7795 7.24956 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 9.81831 6.30447 9.12858 16.1023 7.8435 12.4934 14.4051 5.99863 14.2439 8.28591 numMergedOcc 0
5 mol 93 unq 2 iso 1 dist 9.12858 6.30447 9.81831 12.4934 7.8435 16.1023 14.2439 5.99863 14.4051 8.28591 numMergedOcc 0
6 mol 93 unq 3 iso 0 dist 9.81831 6.30447 9.12858 16.1023 7.8435 12.4934 15.275 6.15015 15.2216 9.40687 numMergedOcc 0
7 mol 93 unq 3 iso 1 dist 9.12858 6.30447 9.81831 12.4934 7.8435 16.1023 15.2216 6.15015 15.275 9.40687 numMergedOcc 0
8 mol 93 unq 4 iso 0 dist 9.81831 6.30447 9.12858 13.1721 5.99269 11.0537 14.4051 5.99863 14.2439 5.35008 numMergedOcc 0
9 mol 93 unq 4 iso 1 dist 9.12858 6.30447 9.81831 11.0537 5.99269 13.1721 14.2439 5.99863 14.4051 5.35008 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 9.81831 6.30447 9.12858 13.1721 5.99269 11.0537 15.275 6.15015 15.2216 8.84576 numMergedOcc 0
11 mol 93 unq 5 iso 1 dist 9.12858 6.30447 9.81831 11.0537 5.99269 13.1721 15.2216 6.15015 15.275 8.84576 numMergedOcc 0
12 mol 93 unq 6 iso 0 dist 9.81831 6.30447 9.12858 9.34182 5.71763 12.0103 14.4051 5.99863 14.2439 8.30921 numMergedOcc 0
13 mol 93 unq 6 iso 1 dist 9.12858 6.30447 9.81831 12.0103 5.71763 9.34182 14.2439 5.99863 14.4051 8.30921 numMergedOcc 0
14 mol 93 unq 7 iso 0 dist 9.81831 6.30447 9.12858 9.34182 5.71763 12.0103 15.275 6.15015 15.2216 7.39732 numMergedOcc 0
15 mol 93 unq 7 iso 1 dist 9.12858 6.30447 9.81831 12.0103 5.71763 9.34182 15.2216 6.15015 15.275 7.39732 numMergedOcc 0
16 mol 93 unq 8 iso 0 dist 9.81831 6.30447 9.12858 9.34182 5.71763 12.0103 18.8402 10.9803 19.9253 9.67744 numMergedOcc 0
17 mol 93 unq 8 iso 1 dist 9.12858 6.30447 9.81831 12.0103 5.71763 9.34182 19.9253 10.9803 18.8402 9.67744 numMergedOcc 0
18 mol 93 unq 9 iso 0 dist 9.81831 9.91939 9.4523 16.1023 7.8435 10.8106 21.9971 12.5638 17.12 6.67678 numMergedOcc 0
19 mol 93 unq 9 iso 1 dist 9.4523 9.91939 9.81831 10.8106 7.8435 16.1023 17.12 12.5638 21.9971 6.67678 numMergedOcc 0
20 mol 93 unq 10 iso 0 dist 9.81831 9.91939 9.4523 16.1023 7.8435 10.8106 21.7795 12.4215 17.9688 7.24956 numMergedOcc 0
21 mol 93 unq 10 iso 1 dist 9.4523 9.91939 9.81831 10.8106 7.8435 16.1023 17.9688 12.4215 21.7795 7.24956 numMergedOcc 0
22 mol 93 unq 11 iso 0 dist 9.81831 9.91939 9.4523 16.1023 7.8435 10.8106 14.4051 5.99863 11.2863 8.28591 numMergedOcc 0
23 mol 93 unq 11 iso 1 dist 9.4523 9.91939 9.81831 10.8106 7.8435 16.1023 11.2863 5.99863 14.4051 8.28591 numMergedOcc 0
24 mol 93 unq 12 iso 0 dist 9.81831 9.91939 9.4523 16.1023 7.8435 10.8106 15.275 6.15015 14.6786 9.40687 numMergedOcc 0
25 mol 93 unq 12 iso 1 dist 9.4523 9.91939 9.81831 10.8106 7.8435 16.1023 14.6786 6.15015 15.275 9.40687 numMergedOcc 0
26 mol 93 unq 13 iso 0 dist 9.81831 9.91939 9.4523 13.1721 5.99269 7.14217 14.4051 5.99863 11.2863 5.35008 numMergedOcc 0
27 mol 93 unq 13 iso 1 dist 9.4523 9.91939 9.81831 7.14217 5.99269 13.1721 11.2863 5.99863 14.4051 5.35008 numMergedOcc 0
28 mol 93 unq 14 iso 0 dist 9.81831 9.91939 9.4523 13.1721 5.99269 7.14217 15.275 6.15015 14.6786 8.84576 numMergedOcc 0
29 mol 93 unq 14 iso 1 dist 9.4523 9.91939 9.81831 7.14217 5.99269 13.1721 14.6786 6.15015 15.275 8.84576 numMergedOcc 0
30 mol 93 unq 15 iso 0 dist 9.81831 9.91939 9.4523 9.34182 5.71763 12.9351 14.4051 5.99863 11.2863 8.30921 numMergedOcc 0
31 mol 93 unq 15 iso 1 dist 9.4523 9.91939 9.81831 12.9351 5.71763 9.34182 11.2863 5.99863 14.4051 8.30921 numMergedOcc 0
32 mol 93 unq 16 iso 0 dist 9.81831 9.91939 9.4523 9.34182 5.71763 12.9351 15.275 6.15015 14.6786 7.39732 numMergedOcc 0
33 mol 93 unq 16 iso 1 dist 9.4523 9.91939 9.81831 12.9351 5.71763 9.34182 14.6786 6.15015 15.275 7.39732 numMergedOcc 0
34 mol 93 unq 17 iso 0 dist 9.81831 9.91939 9.4523 9.34182 5.71763 12.9351 18.8402 10.9803 19.377 9.67744 numMergedOcc 0
35 mol 93 unq 17 iso 1 dist 9.4523 9.91939 9.81831 12.9351 5.71763 9.34182 19.377 10.9803 18.8402 9.67744 numMergedOcc 0
36 mol 93 unq 9 iso 0 dist 9.12858 7.66728 9.4523 12.4934 7.8435 10.8106 18.9177 12.5638 17.12 6.67678 numMergedOcc 0
37 mol 93 unq 9 iso 1 dist 9.4523 7.66728 9.12858 10.8106 7.8435 12.4934 17.12 12.5638 18.9177 6.67678 numMergedOcc 0
38 mol 93 unq 10 iso 0 dist 9.12858 7.66728 9.4523 12.4934 7.8435 10.8106 18.5963 12.4215 17.9688 7.24956 numMergedOcc 0
39 mol 93 unq 10 iso 1 dist 9.4523 7.66728 9.12858 10.8106 7.8435 12.4934 17.9688 12.4215 18.5963 7.24956 numMergedOcc 0
40 mol 93 unq 11 iso 0 dist 9.12858 7.66728 9.4523 12.4934 7.8435 10.8106 14.2439 5.99863 11.2863 8.28591 numMergedOcc 0
41 mol 93 unq 11 iso 1 dist 9.4523 7.66728 9.12858 10.8106 7.8435 12.4934 11.2863 5.99863 14.2439 8.28591 numMergedOcc 0
42 mol 93 unq 12 iso 0 dist 9.12858 7.66728 9.4523 12.4934 7.8435 10.8106 15.2216 6.15015 14.6786 9.40687 numMergedOcc 0
43 mol 93 unq 12 iso 1 dist 9.4523 7.66728 9.12858 10.8106 7.8435 12.4934 14.6786 6.15015 15.2216 9.40687 numMergedOcc 0
44 mol 93 unq 13 iso 0 dist 9.12858 7.66728 9.4523 11.0537 5.99269 7.14217 14.2439 5.99863 11.2863 5.35008 numMergedOcc 0
45 mol 93 unq 13 iso 1 dist 9.4523 7.66728 9.12858 7.14217 5.99269 11.0537 11.2863 5.99863 14.2439 5.35008 numMergedOcc 0
46 mol 93 unq 14 iso 0 dist 9.12858 7.66728 9.4523 11.0537 5.99269 7.14217 15.2216 6.15015 14.6786 8.84576 numMergedOcc 0
47 mol 93 unq 14 iso 1 dist 9.4523 7.66728 9.12858 7.14217 5.99269 11.0537 14.6786 6.15015 15.2216 8.84576 numMergedOcc 0
48 mol 93 unq 15 iso 0 dist 9.12858 7.66728 9.4523 12.0103 5.71763 12.9351 14.2439 5.99863 11.2863 8.30921 numMergedOcc 0
49 mol 93 unq 15 iso 1 dist 9.4523 7.66728 9.12858 12.9351 5.71763 12.0103 11.2863 5.99863 14.2439 8.30921 numMergedOcc 0
50 mol 93 unq 16 iso 0 dist 9.12858 7.66728 9.4523 12.0103 5.71763 12.9351 15.2216 6.15015 14.6786 7.39732 numMergedOcc 0
51 mol 93 unq 16 iso 1 dist 9.4523 7.66728 9.12858 12.9351 5.71763 12.0103 14.6786 6.15015 15.2216 7.39732 numMergedOcc 0
52 mol 93 unq 17 iso 0 dist 9.12858 7.66728 9.4523 12.0103 5.71763 12.9351 19.9253 10.9803 19.377 9.67744 numMergedOcc 0
53 mol 93 unq 17 iso 1 dist 9.4523 7.66728 9.12858 12.9351 5.71763 12.0103 19.377 10.9803 19.9253 9.67744 numMergedOcc 0
54 mol 112 unq 0 iso 0 dist 6.43433 5.0812 9.92283 6.95317 4.99604 10.9279 6.87434 4.25001 11.5809 5.92828 numMergedOcc 0
55 mol 112 unq 0 iso 1 dist 9.92283 5.0812 6.43433 10.9279 4.99604 6.95317 11.5809 4.25001 6.87434 5.92828 numMergedOcc 0
56 mol 131 unq 0 iso 0 dist 9.15431 7.58238 6.92648 4.57579 6.78801 8.57203 11.6414 9.93041 15.2551 8.49847 numMergedOcc 0
57 mol 131 unq 0 iso 1 dist 6.92648 7.58238 9.15431 8.57203 6.78801 4.57579 15.2551 9.93041 11.6414 8.49847 numMergedOcc 0
58 mol 131 unq 1 iso 0 dist 9.15431 13.2572 9.29384 4.57579 6.78801 12.6005 11.6414 9.93041 18.8134 8.49847 numMergedOcc 0
59 mol 131 unq 1 iso 1 dist 9.29384 13.2572 9.15431 12.6005 6.78801 4.57579 18.8134 9.93041 11.6414 8.49847 numMergedOcc 0
60 mol 131 unq 1 iso 0 dist 6.92648 6.63273 9.29384 8.57203 6.78801 12.6005 15.2551 9.93041 18.8134 8.49847 numMergedOcc 0
61 mol 131 unq 1 iso 1 dist 9.29384 6.63273 6.92648 12.6005 6.78801 8.57203 18.8134 9.93041 15.2551 8.49847 numMergedOcc 0
62 mol 134 unq 0 iso 0 dist 7.36779 5.62899 8.20836 14.2036 8.48313 16.4114 18.4634 12.7348 20.8896 4.94473 numMergedOcc 0
63 mol 134 unq 0 iso 1 dist 8.20836 5.62899 7.36779 16.4114 8.48313 14.2036 20.8896 12.7348 18.4634 4.94473 numMergedOcc 0
64 mol 186 unq 0 iso 0 dist 9.56197 9.41955 7.24795 6.89047 8.57801 3.90244 14.8324 9.28201 5.90765 8.92135 numMergedOcc 0
65 mol 186 unq 0 iso 1 dist 7.24795 9.41955 9.56197 3.90244 8.57801 6.89047 5.90765 9.28201 14.8324 8.92135 numMergedOcc 0
66 mol 186 unq 1 iso 0 dist 9.56197 8.04815 8.64409 6.89047 8.57801 12.6058 14.8324 9.28201 17.3863 8.92135 numMergedOcc 0
67 mol 186 unq 1 iso 1 dist 8.64409 8.04815 9.56197 12.6058 8.57801 6.89047 17.3863 9.28201 14.8324 8.92135 numMergedOcc 0
68 mol 186 unq 2 iso 0 dist 9.56197 5.92513 7.60202 6.89047 8.57801 7.21555 14.8324 9.28201 13.011 8.92135 numMergedOcc 0
69 mol 186 unq 2 iso 1 dist 7.60202 5.92513 9.56197 7.21555 8.57801 6.89047 13.011 9.28201 14.8324 8.92135 numMergedOcc 0
70 mol 186 unq 1 iso 0 dist 7.24795 13.684 8.64409 3.90244 8.57801 12.6058 5.90765 9.28201 17.3863 8.92135 numMergedOcc 0
71 mol 186 unq 1 iso 1 dist 8.64409 13.684 7.24795 12.6058 8.57801 3.90244 17.3863 9.28201 5.90765 8.92135 numMergedOcc 0
72 mol 186 unq 2 iso 0 dist 7.24795 9.45987 7.60202 3.90244 8.57801 7.21555 5.90765 9.28201 13.011 8.92135 numMergedOcc 0
73 mol 186 unq 2 iso 1 dist 7.60202 9.45987 7.24795 7.21555 8.57801 3.90244 13.011 9.28201 5.90765 8.92135 numMergedOcc 0
74 mol 186 unq 2 iso 0 dist 8.64409 7.18269 7.60202 12.6058 8.57801 7.21555 17.3863 9.28201 13.011 8.92135 numMergedOcc 0
75 mol 186 unq 2 iso 1 dist 7.60202 7.18269 8.64409 7.21555 8.57801 12.6058 13.011 9.28201 17.3863 8.92135 numMergedOcc 0
76 mol 194 unq 0 iso 0 dist 6.26839 8.0179 8.12346 10.0756 5.53324 10.2793 9.52922 7.82899 11.2599 4.45769 numMergedOcc 0
77 mol 194 unq 0 iso 1 dist 8.12346 8.0179 6.26839 10.2793 5.53324 10.0756 11.2599 7.82899 9.52922 4.45769 numMergedOcc 0
78 mol 194 unq 1 iso 0 dist 6.26839 8.0179 8.12346 10.0756 5.53324 10.2793 11.7672 10.0237 11.0369 5.89939 numMergedOcc 0
79 mol 194 unq 1 iso 1 dist 8.12346 8.0179 6.26839 10.2793 5.53324 10.0756 11.0369 10.0237 11.7672 5.89939 numMergedOcc 0
80 mol 194 unq 2 iso 0 dist 6.26839 14.6506 8.83356 10.0756 5.53324 10.463 9.52922 7.82899 14.7152 4.45769 numMergedOcc 0
81 mol 194 unq 2 iso 1 dist 8.83356 14.6506 6.26839 10.463 5.53324 10.0756 14.7152 7.82899 9.52922 4.45769 numMergedOcc 0
82 mol 194 unq 3 iso 0 dist 6.26839 14.6506 8.83356 10.0756 5.53324 10.463 11.7672 10.0237 15.9798 5.89939 numMergedOcc 0
83 mol 194 unq 3 iso 1 dist 8.83356 14.6506 6.26839 10.463 5.53324 10.0756 15.9798 10.0237 11.7672 5.89939 numMergedOcc 0
84 mol 194 unq 4 iso 0 dist 6.26839 8.48054 8.2654 10.0756 5.53324 12.8494 9.52922 7.82899 14.7929 4.45769 numMergedOcc 0
85 mol 194 unq 4 iso 1 dist 8.2654 8.48054 6.26839 12.8494 5.53324 10.0756 14.7929 7.82899 9.52922 4.45769 numMergedOcc 0
86 mol 194 unq 5 iso 0 dist 6.26839 8.48054 8.2654 10.0756 5.53324 12.8494 11.7672 10.0237 15.7836 5.89939 numMergedOcc 0
87 mol 194 unq 5 iso 1 dist 8.2654 8.48054 6.26839 12.8494 5.53324 10.0756 15.7836 10.0237 11.7672 5.89939 numMergedOcc 0
88 mol 194 unq 2 iso 0 dist 8.12346 13.5632 8.83356 10.2793 5.53324 10.463 11.2599 7.82899 14.7152 4.45769 numMergedOcc 0
89 mol 194 unq 2 iso 1 dist 8.83356 13.5632 8.12346 10.463 5.53324 10.2793 14.7152 7.82899 11.2599 4.45769 numMergedOcc 0
90 mol 194 unq 3 iso 0 dist 8.12346 13.5632 8.83356 10.2793 5.53324 10.463 11.0369 10.0237 15.9798 5.89939 numMergedOcc 0
91 mol 194 unq 3 iso 1 dist 8.83356 13.5632 8.12346 10.463 5.53324 10.2793 15.9798 10.0237 11.0369 5.89939 numMergedOcc 0
92 mol 194 unq 4 iso 0 dist 8.12346 6.26298 8.2654 10.2793 5.53324 12.8494 11.2599 7.82899 14.7929 4.45769 numMergedOcc 0
93 mol 194 unq 4 iso 1 dist 8.2654 6.26298 8.12346 12.8494 5.53324 10.2793 14.7929 7.82899 11.2599 4.45769 numMergedOcc 0
94 mol 194 unq 5 iso 0 dist 8.12346 6.26298 8.2654 10.2793 5.53324 12.8494 11.0369 10.0237 15.7836 5.89939 numMergedOcc 0
95 mol 194 unq 5 iso 1 dist 8.2654 6.26298 8.12346 12.8494 5.53324 10.2793 15.7836 10.0237 11.0369 5.89939 numMergedOcc 0
96 mol 194 unq 4 iso 0 dist 8.83356 11.6097 8.2654 10.463 5.53324 12.8494 14.7152 7.82899 14.7929 4.45769 numMergedOcc 0
97 mol 194 unq 4 iso 1 dist 8.2654 11.6097 8.83356 12.8494 5.53324 10.463 14.7929 7.82899 14.7152 4.45769 numMergedOcc 0
98 mol 194 unq 5 iso 0 dist 8.83356 11.6097 8.2654 10.463 5.53324 12.8494 15.9798 10.0237 15.7836 5.89939 numMergedOcc 0
99 mol 194 unq 5 iso 1 dist 8.2654 11.6097 8.83356 12.8494 5.53324 10.463 15.7836 10.0237 15.9798 5.89939 numMergedOcc 0
100 mol 207 unq 0 iso 0 dist 8.32218 11.0921 7.96797 14.0642 8.78061 4.56899 13.7929 5.62485 9.29009 7.30153 numMergedOcc 0
101 mol 207 unq 0 iso 1 dist 7.96797 11.0921 8.32218 4.56899 8.78061 14.0642 9.29009 5.62485 13.7929 7.30153 numMergedOcc 0
102 mol 222 unq 0 iso 0 dist 9.2581 9.57159 9.62632 9.01393 7.97027 13.3586 16.7372 9.06039 16.4436 9.79673 numMergedOcc 0
103 mol 222 unq 0 iso 1 dist 9.62632 9.57159 9.2581 13.3586 7.97027 9.01393 16.4436 9.06039 16.7372 9.79673 numMergedOcc 0
104 mol 222 unq 1 iso 0 dist 9.2581 9.57159 9.62632 9.01393 7.97027 13.3586 10.3894 3.98816 13.2354 6.39673 numMergedOcc 0
105 mol 222 unq 1 iso 1 dist 9.62632 9.57159 9.2581 13.3586 7.97027 9.01393 13.2354 3.98816 10.3894 6.39673 numMergedOcc 0
106 mol 222 unq 2 iso 0 dist 9.2581 9.57159 9.62632 5.64455 4.9876 5.9478 10.3894 3.98816 13.2354 7.80676 numMergedOcc 0
107 mol 222 unq 2 iso 1 dist 9.62632 9.57159 9.2581 5.9478 4.9876 5.64455 13.2354 3.98816 10.3894 7.80676 numMergedOcc 0
108 mol 222 unq 3 iso 0 dist 9.2581 10.5806 7.862 9.01393 7.97027 8.84507 16.7372 9.06039 11.04 9.79673 numMergedOcc 0
109 mol 222 unq 3 iso 1 dist 7.862 10.5806 9.2581 8.84507 7.97027 9.01393 11.04 9.06039 16.7372 9.79673 numMergedOcc 0
110 mol 222 unq 4 iso 0 dist 9.2581 10.5806 7.862 9.01393 7.97027 8.84507 10.3894 3.98816 10.2446 6.39673 numMergedOcc 0
111 mol 222 unq 4 iso 1 dist 7.862 10.5806 9.2581 8.84507 7.97027 9.01393 10.2446 3.98816 10.3894 6.39673 numMergedOcc 0
112 mol 222 unq 5 iso 0 dist 9.2581 10.5806 7.862 5.64455 4.9876 6.02502 10.3894 3.98816 10.2446 7.80676 numMergedOcc 0
113 mol 222 unq 5 iso 1 dist 7.862 10.5806 9.2581 6.02502 4.9876 5.64455 10.2446 3.98816 10.3894 7.80676 numMergedOcc 0
114 mol 222 unq 3 iso 0 dist 9.62632 6.9154 7.862 13.3586 7.97027 8.84507 16.4436 9.06039 11.04 9.79673 numMergedOcc 0
115 mol 222 unq 3 iso 1 dist 7.862 6.9154 9.62632 8.84507 7.97027 13.3586 11.04 9.06039 16.4436 9.79673 numMergedOcc 0
116 mol 222 unq 4 iso 0 dist 9.62632 6.9154 7.862 13.3586 7.97027 8.84507 13.2354 3.98816 10.2446 6.39673 numMergedOcc 0
117 mol 222 unq 4 iso 1 dist 7.862 6.9154 9.62632 8.84507 7.97027 13.3586 10.2446 3.98816 13.2354 6.39673 numMergedOcc 0
118 mol 222 unq 5 iso 0 dist 9.62632 6.9154 7.862 5.9478 4.9876 6.02502 13.2354 3.98816 10.2446 7.80676 numMergedOcc 0
119 mol 222 unq 5 iso 1 dist 7.862 6.9154 9.62632 6.02502 4.9876 5.9478 10.2446 3.98816 13.2354 7.80676 numMergedOcc 0
120 mol 252 unq 0 iso 0 dist 6.53679 6.0987 7.50201 5.6214 5.9974 7.40852 11.065 6.33781 12.8652 7.62991 numMergedOcc 0
121 mol 252 unq 0 iso 1 dist 7.50201 6.0987 6.53679 7.40852 5.9974 5.6214 12.8652 6.33781 11.065 7.62991 numMergedOcc 0
122 mol 252 unq 1 iso 0 dist 6.53679 6.0987 7.50201 5.6214 5.9974 7.40852 14.2216 14.8966 12.9602 9.81261 numMergedOcc 0
123 mol 252 unq 1 iso 1 dist 7.50201 6.0987 6.53679 7.40852 5.9974 5.6214 12.9602 14.8966 14.2216 9.81261 numMergedOcc 0
124 mol 264 unq 0 iso 0 dist 7.52281 8.96144 6.42588 5.71153 6.02757 6.56539 14.7806 8.89888 10.4401 9.87744 numMergedOcc 0
125 mol 264 unq 0 iso 1 dist 6.42588 8.96144 7.52281 6.56539 6.02757 5.71153 10.4401 8.89888 14.7806 9.87744 numMergedOcc 0
126 mol 264 unq 1 iso 0 dist 6.04162 4.92077 6.14323 11.4167 7.14086 13.2035 14.1991 9.4435 13.9142 8.55386 numMergedOcc 0
127 mol 264 unq 1 iso 1 dist 6.14323 4.92077 6.04162 13.2035 7.14086 11.4167 13.9142 9.4435 14.1991 8.55386 numMergedOcc 0
128 mol 278 unq 0 iso 0 dist 7.67245 5.74345 9.12395 10.0918 7.59696 6.48173 5.35705 5.78276 6.64378 7.56691 numMergedOcc 0
129 mol 278 unq 0 iso 1 dist 9.12395 5.74345 7.67245 6.48173 7.59696 10.0918 6.64378 5.78276 5.35705 7.56691 numMergedOcc 0
130 mol 279 unq 0 iso 0 dist 8.29305 6.67478 6.43341 6.5644 5.8304 9.40912 10.6394 7.93548 13.2372 4.98693 numMergedOcc 0
131 mol 279 unq 0 iso 1 dist 6.43341 6.67478 8.29305 9.40912 5.8304 6.5644 13.2372 7.93548 10.6394 4.98693 numMergedOcc 0
