0 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 5.48395 6.31718 6.92781 9.05346 6.2983 7.03948 5.47769 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.36377 5.48395 6.31718 4.78943 5.05803 6.92781 9.05346 6.2983 5.47769 7.03948 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 7.19021 4.18584 6.43774 9.0702 7.2846 5.24762 9.61766 4.71384 7.06308 6.34173 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 7.19021 9.0702 7.2846 4.18584 6.43774 5.24762 9.61766 4.71384 6.34173 7.06308 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 6.65344 13.1729 7.71095 5.29688 6.85766 10.0246 10.6421 5.3525 8.24062 10.6318 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.58793 9.21014 6.19965 10.1919 7.95579 4.26409 14.6315 11.6116 9.47876 13.6587 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 7.83419 7.66905 6.9948 14.6315 11.6116 9.47876 7.22293 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 10.1919 7.95579 10.7229 14.6315 11.6116 7.22293 13.6587 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 6.58793 7.83419 7.66905 9.21014 6.19965 6.9948 14.6315 11.6116 7.22293 9.47876 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.02717 6.75472 5.83991 5.28901 7.30858 10.8507 13.1716 10.9739 7.76729 17.6696 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 5.02717 6.75472 5.83991 11.0268 7.88312 8.02349 13.1716 10.9739 7.76729 12.9821 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 5.28901 7.30858 11.5723 14.0848 11.7126 6.99777 11.695 numMergedOcc 0
12 mol 115 unq 3 iso 0 dist 5.02717 11.0268 7.88312 5.28901 7.30858 11.5723 9.26862 4.62962 9.14376 10.0603 numMergedOcc 0
13 mol 115 unq 4 iso 0 dist 5.02717 11.0268 7.88312 6.75472 5.83991 8.02349 14.0848 11.7126 6.99777 13.9977 numMergedOcc 0
14 mol 115 unq 5 iso 0 dist 5.02717 11.0268 7.88312 6.75472 5.83991 8.02349 9.26862 4.62962 9.14376 9.65429 numMergedOcc 0
15 mol 115 unq 6 iso 0 dist 4.98864 6.59772 6.11741 10.9437 7.88312 7.69052 9.44544 4.61908 9.66954 8.66155 numMergedOcc 0
16 mol 115 unq 7 iso 0 dist 4.98864 6.59772 6.11741 10.9437 7.88312 7.69052 12.7883 10.8939 7.64585 12.2309 numMergedOcc 0
17 mol 115 unq 8 iso 0 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 9.44544 4.61908 8.66155 9.66954 numMergedOcc 0
18 mol 115 unq 9 iso 0 dist 7.95871 4.86477 6.11741 12.0354 7.88312 7.69052 12.2966 4.61908 9.66954 8.66155 numMergedOcc 0
19 mol 115 unq 10 iso 0 dist 7.95871 4.86477 6.11741 12.0354 7.88312 7.69052 10.1292 10.8939 7.64585 12.2309 numMergedOcc 0
20 mol 115 unq 11 iso 0 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 12.2966 4.61908 8.66155 9.66954 numMergedOcc 0
21 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 5.27151 7.83136 7.22206 9.58171 4.91401 6.62561 7.63616 numMergedOcc 0
22 mol 117 unq 1 iso 0 dist 6.90827 10.4485 7.90328 4.45276 7.0603 9.3584 9.58171 4.91401 6.62561 10.6107 numMergedOcc 0
23 mol 117 unq 2 iso 0 dist 6.90827 5.27151 7.83136 10.4485 7.90328 7.22206 9.58171 4.91401 7.63616 6.62561 numMergedOcc 0
24 mol 117 unq 3 iso 0 dist 6.90827 5.27151 7.83136 4.45276 7.0603 7.21564 9.58171 4.91401 7.63616 10.6107 numMergedOcc 0
25 mol 117 unq 4 iso 0 dist 8.90977 13.8755 7.90328 10.6616 7.83136 7.22206 13.2996 4.91401 6.62561 7.63616 numMergedOcc 0
26 mol 117 unq 5 iso 0 dist 8.90977 13.8755 7.90328 4.98254 7.0603 9.3584 13.2996 4.91401 6.62561 10.6107 numMergedOcc 0
27 mol 117 unq 6 iso 0 dist 8.90977 10.6616 7.83136 13.8755 7.90328 7.22206 13.2996 4.91401 7.63616 6.62561 numMergedOcc 0
28 mol 117 unq 7 iso 0 dist 8.90977 10.6616 7.83136 4.98254 7.0603 7.21564 13.2996 4.91401 7.63616 10.6107 numMergedOcc 0
29 mol 131 unq 0 iso 0 dist 6.31125 4.29914 7.12972 5.6098 8.40312 5.55373 9.90096 6.19596 8.6243 12.5969 numMergedOcc 0
30 mol 131 unq 1 iso 0 dist 6.31125 4.29914 7.12972 5.59449 6.85062 6.63273 9.90096 6.19596 8.6243 6.91348 numMergedOcc 0
31 mol 131 unq 2 iso 0 dist 6.31125 5.59449 6.85062 5.6098 8.40312 10.7062 9.90096 6.19596 6.91348 12.5969 numMergedOcc 0
32 mol 131 unq 3 iso 0 dist 6.31125 5.59449 6.85062 5.6098 8.40312 10.7062 10.3644 6.6499 9.51418 13.6559 numMergedOcc 0
33 mol 131 unq 4 iso 0 dist 6.31125 5.59449 6.85062 4.29914 7.12972 6.63273 9.90096 6.19596 6.91348 8.6243 numMergedOcc 0
34 mol 131 unq 5 iso 0 dist 6.31125 5.59449 6.85062 4.29914 7.12972 6.63273 10.3644 6.6499 9.51418 12.9472 numMergedOcc 0
35 mol 133 unq 0 iso 0 dist 5.82404 5.37072 8.00618 10.2385 6.29155 11.965 11.5756 12.2037 7.92688 17.2931 numMergedOcc 0
36 mol 133 unq 1 iso 0 dist 5.82404 5.37072 8.00618 4.64588 6.80239 7.79672 11.5756 12.2037 7.92688 15.1694 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 12.9554 7.63312 8.85576 6.17129 6.7991 4.93785 10.1232 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 4.3158 7.81386 8.85576 14.2389 4.80231 6.93764 11.4148 numMergedOcc 0
39 mol 192 unq 0 iso 0 dist 9.90531 8.43102 5.59424 4.96445 7.00794 5.76246 14.1636 5.71262 8.36822 12.1647 numMergedOcc 0
40 mol 214 unq 0 iso 0 dist 9.51764 6.53326 8.85478 6.28065 9.65138 4.40923 11.3587 6.67959 7.46831 10.852 numMergedOcc 0
41 mol 214 unq 1 iso 0 dist 9.51764 6.53326 8.85478 11.2159 7.14453 11.3796 11.3587 6.67959 7.46831 12.6888 numMergedOcc 0
42 mol 214 unq 2 iso 0 dist 5.36829 12.3481 8.85478 11.7583 9.65138 4.40923 10.5513 6.67959 7.46831 10.852 numMergedOcc 0
43 mol 214 unq 3 iso 0 dist 5.36829 12.3481 8.85478 4.98764 7.14453 11.3796 10.5513 6.67959 7.46831 12.6888 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 8.39002 9.98893 8.95269 5.72088 6.57273 4.70378 14.5909 9.36098 7.06793 10.0414 numMergedOcc 0
45 mol 224 unq 1 iso 0 dist 8.39002 9.98893 8.95269 5.72088 6.57273 4.70378 11.3096 5.29877 6.67585 6.65984 numMergedOcc 0
46 mol 224 unq 2 iso 0 dist 8.39002 9.98893 8.95269 6.51315 5.78342 11.5372 14.5909 9.36098 7.06793 12.7072 numMergedOcc 0
47 mol 224 unq 3 iso 0 dist 8.39002 9.98893 8.95269 6.51315 5.78342 11.5372 11.3096 5.29877 6.67585 10.667 numMergedOcc 0
48 mol 224 unq 4 iso 0 dist 8.39002 5.72088 6.57273 9.98893 8.95269 4.70378 11.3096 5.29877 6.65984 6.67585 numMergedOcc 0
49 mol 224 unq 5 iso 0 dist 8.39002 5.72088 6.57273 6.51315 5.78342 8.49799 11.3096 5.29877 6.65984 10.667 numMergedOcc 0
50 mol 224 unq 6 iso 0 dist 8.46129 5.72088 6.60589 6.31508 6.65832 6.77699 11.3096 6.12232 6.65984 11.0097 numMergedOcc 0
51 mol 224 unq 7 iso 0 dist 8.46129 5.72088 6.60589 6.51315 9.16166 8.49799 11.3096 6.12232 6.65984 10.667 numMergedOcc 0
52 mol 236 unq 0 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 10.3034 11.3552 7.17676 5.34718 numMergedOcc 0
53 mol 236 unq 1 iso 0 dist 9.89665 4.38595 6.84306 11.247 7.68742 7.28249 8.71945 11.6837 6.68463 10.5713 numMergedOcc 0
54 mol 236 unq 2 iso 0 dist 9.89665 11.247 7.68742 4.38595 6.84306 7.28249 10.3034 11.3552 5.34718 7.17676 numMergedOcc 0
55 mol 236 unq 3 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 10.3034 6.40312 7.17676 10.6445 numMergedOcc 0
56 mol 236 unq 4 iso 0 dist 9.05929 4.38595 8.35971 4.32403 8.04248 7.43758 8.71945 6.2568 6.68463 10.5433 numMergedOcc 0
57 mol 236 unq 5 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 6.98151 6.04825 7.17676 5.34718 numMergedOcc 0
58 mol 236 unq 6 iso 0 dist 5.66569 11.2013 9.99038 4.15973 6.27581 7.28249 12.9923 8.8265 6.68463 10.5713 numMergedOcc 0
59 mol 236 unq 7 iso 0 dist 5.66569 4.15973 6.27581 11.2013 9.99038 7.28249 6.98151 6.04825 5.34718 7.17676 numMergedOcc 0
60 mol 236 unq 8 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 9.91572 6.04825 7.17676 5.34718 numMergedOcc 0
61 mol 236 unq 9 iso 0 dist 6.11137 15.1664 9.99038 9.01197 6.27581 7.28249 14.8319 8.8265 6.68463 10.5713 numMergedOcc 0
62 mol 236 unq 10 iso 0 dist 6.11137 9.01197 6.27581 15.1664 9.99038 7.28249 9.91572 6.04825 5.34718 7.17676 numMergedOcc 0
63 mol 259 unq 0 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 13.1236 11.6195 7.48005 10.9591 numMergedOcc 0
