0 mol 48 unq 0 iso 0 dist 6.42242 5.43913 10.8889 8.26877 13.697 5.62671 numMergedOcc 0
1 mol 48 unq 0 iso 1 dist 6.42242 8.26877 13.697 5.43913 10.8889 5.62671 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.3768 9.85386 11.1804 4.8983 4.39723 11.6321 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 8.3768 4.8983 4.39723 9.85386 11.1804 11.6321 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.13535 9.85386 14.019 4.8983 4.1846 11.6321 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 8.13535 4.8983 4.1846 9.85386 14.019 11.6321 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 7.99438 6.65972 10.2709 4.2253 6.1647 5.63083 numMergedOcc 0
7 mol 79 unq 0 iso 1 dist 7.99438 4.2253 6.1647 6.65972 10.2709 5.63083 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 6.64915 6.65972 9.87964 4.2253 4.31939 5.63083 numMergedOcc 0
9 mol 79 unq 1 iso 1 dist 6.64915 4.2253 4.31939 6.65972 9.87964 5.63083 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.18097 7.51319 5.22259 8.49887 7.66499 2.58673 numMergedOcc 0
11 mol 85 unq 0 iso 1 dist 9.18097 8.49887 7.66499 7.51319 5.22259 2.58673 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 7.13064 8.55758 5.64998 7.44027 4.76749 2.81832 numMergedOcc 0
13 mol 93 unq 0 iso 1 dist 7.13064 7.44027 4.76749 8.55758 5.64998 2.81832 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 7.8962 8.55758 4.34681 7.44027 5.73248 2.81832 numMergedOcc 0
15 mol 93 unq 1 iso 1 dist 7.8962 7.44027 5.73248 8.55758 4.34681 2.81832 numMergedOcc 0
16 mol 116 unq 0 iso 0 dist 9.2638 9.12145 14.6696 8.11048 8.478 7.59881 numMergedOcc 0
17 mol 116 unq 0 iso 1 dist 9.2638 8.11048 8.478 9.12145 14.6696 7.59881 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 8.46376 9.57243 3.84623 8.12558 10.3222 13.315 numMergedOcc 0
19 mol 141 unq 0 iso 1 dist 8.46376 8.12558 10.3222 9.57243 3.84623 13.315 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 8.49831 8.09561 5.83776 9.07315 11.2086 6.01609 numMergedOcc 0
21 mol 152 unq 0 iso 1 dist 8.49831 9.07315 11.2086 8.09561 5.83776 6.01609 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 9.31025 9.88912 6.17752 9.46218 15.8538 12.6144 numMergedOcc 0
23 mol 162 unq 0 iso 1 dist 9.31025 9.46218 15.8538 9.88912 6.17752 12.6144 numMergedOcc 0
24 mol 165 unq 0 iso 0 dist 5.79029 9.98689 11.7621 5.93144 6.57937 15.5252 numMergedOcc 0
25 mol 165 unq 0 iso 1 dist 5.79029 5.93144 6.57937 9.98689 11.7621 15.5252 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 9.2802 7.90621 3.74763 8.0943 4.4787 4.62459 numMergedOcc 0
27 mol 186 unq 0 iso 1 dist 9.2802 8.0943 4.4787 7.90621 3.74763 4.62459 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 7.2843 7.90621 4.87674 8.0943 8.72129 4.62459 numMergedOcc 0
29 mol 186 unq 1 iso 1 dist 7.2843 8.0943 8.72129 7.90621 4.87674 4.62459 numMergedOcc 0
30 mol 192 unq 0 iso 0 dist 7.37823 5.5223 11.5634 8.00501 12.3784 4.98308 numMergedOcc 0
31 mol 192 unq 0 iso 1 dist 7.37823 8.00501 12.3784 5.5223 11.5634 4.98308 numMergedOcc 0
32 mol 194 unq 0 iso 0 dist 8.09776 7.56217 12.7379 9.81055 15.4151 3.78714 numMergedOcc 0
33 mol 194 unq 0 iso 1 dist 8.09776 9.81055 15.4151 7.56217 12.7379 3.78714 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 5.4455 7.56217 3.7326 9.81055 7.29209 3.78714 numMergedOcc 0
35 mol 194 unq 1 iso 1 dist 5.4455 9.81055 7.29209 7.56217 3.7326 3.78714 numMergedOcc 0
36 mol 204 unq 0 iso 0 dist 9.46973 9.41594 8.51539 9.92651 9.07662 4.97009 numMergedOcc 0
37 mol 204 unq 0 iso 1 dist 9.46973 9.92651 9.07662 9.41594 8.51539 4.97009 numMergedOcc 0
38 mol 253 unq 0 iso 0 dist 9.29788 6.93942 5.68255 9.05161 5.57952 3.10832 numMergedOcc 0
39 mol 253 unq 0 iso 1 dist 9.29788 9.05161 5.57952 6.93942 5.68255 3.10832 numMergedOcc 0
40 mol 253 unq 1 iso 0 dist 8.64294 9.80396 5.35601 6.3093 6.06804 6.8233 numMergedOcc 0
41 mol 253 unq 1 iso 1 dist 8.64294 6.3093 6.06804 9.80396 5.35601 6.8233 numMergedOcc 0
42 mol 253 unq 2 iso 0 dist 9.50983 9.31626 5.68255 9.77366 5.57952 3.10832 numMergedOcc 0
43 mol 253 unq 2 iso 1 dist 9.50983 9.77366 5.57952 9.31626 5.68255 3.10832 numMergedOcc 0
44 mol 254 unq 0 iso 0 dist 7.00841 5.83039 4.4384 6.74364 6.09569 2.67738 numMergedOcc 0
45 mol 254 unq 0 iso 1 dist 7.00841 6.74364 6.09569 5.83039 4.4384 2.67738 numMergedOcc 0
46 mol 266 unq 0 iso 0 dist 6.77259 7.36137 4.60397 4.95415 5.26919 3.00605 numMergedOcc 0
47 mol 266 unq 0 iso 1 dist 6.77259 4.95415 5.26919 7.36137 4.60397 3.00605 numMergedOcc 0
48 mol 285 unq 0 iso 0 dist 6.46935 7.08681 8.21781 4.95596 9.60745 11.9982 numMergedOcc 0
49 mol 285 unq 0 iso 1 dist 6.46935 4.95596 9.60745 7.08681 8.21781 11.9982 numMergedOcc 0
50 mol 285 unq 1 iso 0 dist 6.46935 7.08681 8.21781 6.3508 12.3762 11.9803 numMergedOcc 0
51 mol 285 unq 1 iso 1 dist 6.46935 6.3508 12.3762 7.08681 8.21781 11.9803 numMergedOcc 0
52 mol 285 unq 2 iso 0 dist 6.46935 7.08681 8.21781 8.3005 8.69747 14.1264 numMergedOcc 0
53 mol 285 unq 2 iso 1 dist 6.46935 8.3005 8.69747 7.08681 8.21781 14.1264 numMergedOcc 0
54 mol 285 unq 1 iso 0 dist 6.46935 4.95596 9.60745 6.3508 12.3762 4.87372 numMergedOcc 0
55 mol 285 unq 1 iso 1 dist 6.46935 6.3508 12.3762 4.95596 9.60745 4.87372 numMergedOcc 0
56 mol 285 unq 2 iso 0 dist 6.46935 4.95596 9.60745 8.3005 8.69747 6.95388 numMergedOcc 0
57 mol 285 unq 2 iso 1 dist 6.46935 8.3005 8.69747 4.95596 9.60745 6.95388 numMergedOcc 0
58 mol 285 unq 2 iso 0 dist 6.46935 6.3508 12.3762 8.3005 8.69747 9.46838 numMergedOcc 0
59 mol 285 unq 2 iso 1 dist 6.46935 8.3005 8.69747 6.3508 12.3762 9.46838 numMergedOcc 0
