0 mol 7 unq 0 iso 0 dist 9.20552 9.81211 5.51421 15.1647 8.41585 10.6104 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.49709 7.4835 5.95165 5.51815 4.61088 3.77561 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 9.28341 4.97366 6.87018 5.58255 6.38364 5.45641 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 7.40392 10.9024 9.54519 8.23069 5.54419 13.2653 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 7.40392 10.9024 9.54519 8.59466 7.36323 5.80023 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 8.94828 4.93826 8.40051 14.2406 7.57578 13.466 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 8.94828 4.93826 8.40051 15.6642 7.17969 14.4191 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.06275 6.41579 8.38387 5.5249 8.80331 11.0096 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.06275 6.41579 8.38387 10.4413 6.20293 11.8286 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 8.90024 14.9559 8.38387 13.9129 8.80331 11.0096 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 8.90024 14.9559 8.38387 5.84171 6.20293 11.8286 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 9.81637 9.37897 6.36193 11.9429 6.62496 5.40367 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 7.96299 4.5896 7.75811 6.75623 5.83409 4.8042 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 9.83528 13.0144 5.9747 12.3158 5.08437 4.75138 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 9.83528 13.0144 5.9747 15.1765 6.48948 10.4417 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 9.83528 13.0144 5.9747 8.06684 6.10456 11.3628 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 9.83528 10.11 4.50572 12.3158 5.08437 6.88489 numMergedOcc 0
17 mol 98 unq 4 iso 0 dist 9.83528 10.11 4.50572 15.1765 6.48948 9.63267 numMergedOcc 0
18 mol 98 unq 5 iso 0 dist 9.83528 10.11 4.50572 8.06684 6.10456 9.82583 numMergedOcc 0
19 mol 98 unq 6 iso 0 dist 7.54969 12.9828 5.9747 11.7493 5.08437 4.75138 numMergedOcc 0
20 mol 98 unq 7 iso 0 dist 7.54969 12.9828 5.9747 10.3366 6.48948 10.4417 numMergedOcc 0
21 mol 98 unq 8 iso 0 dist 7.54969 12.9828 5.9747 5.15322 6.10456 11.3628 numMergedOcc 0
22 mol 98 unq 9 iso 0 dist 7.54969 9.82501 4.50572 11.7493 5.08437 6.88489 numMergedOcc 0
23 mol 98 unq 10 iso 0 dist 7.54969 9.82501 4.50572 10.3366 6.48948 9.63267 numMergedOcc 0
24 mol 98 unq 11 iso 0 dist 7.54969 9.82501 4.50572 5.15322 6.10456 9.82583 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 9.26438 9.97562 8.3164 5.68669 8.69985 11.5656 numMergedOcc 0
26 mol 109 unq 1 iso 0 dist 6.43255 13.5611 8.3164 6.80429 8.69985 11.5656 numMergedOcc 0
27 mol 109 unq 2 iso 0 dist 7.4389 13.6781 8.3164 12.3794 8.69985 11.5656 numMergedOcc 0
28 mol 120 unq 0 iso 0 dist 5.06555 8.75149 7.04864 7.75534 8.75408 4.5543 numMergedOcc 0
29 mol 120 unq 1 iso 0 dist 5.06555 8.75149 7.04864 5.61914 6.44653 6.81949 numMergedOcc 0
30 mol 122 unq 0 iso 0 dist 8.47907 5.08302 9.40018 9.75696 8.37808 11.0216 numMergedOcc 0
31 mol 122 unq 1 iso 0 dist 8.47907 11.2519 6.78949 9.75696 8.37808 7.54208 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 9.94179 11.088 9.3894 6.75154 6.5107 4.84607 numMergedOcc 0
33 mol 133 unq 1 iso 0 dist 9.94179 11.088 9.3894 6.70853 9.52634 13.0836 numMergedOcc 0
34 mol 133 unq 2 iso 0 dist 8.66715 13.3005 9.50322 14.0905 7.11802 5.37072 numMergedOcc 0
35 mol 133 unq 3 iso 0 dist 9.00172 13.3005 5.82404 13.2145 6.29155 10.2385 numMergedOcc 0
36 mol 133 unq 4 iso 0 dist 9.00172 13.3005 5.82404 15.719 6.80239 4.64588 numMergedOcc 0
37 mol 133 unq 5 iso 0 dist 9.00172 13.3005 5.82404 14.0905 8.00618 5.37072 numMergedOcc 0
38 mol 133 unq 6 iso 0 dist 8.95433 15.4773 9.50322 11.0811 7.11802 5.37072 numMergedOcc 0
39 mol 134 unq 0 iso 0 dist 8.84656 18.3189 9.60411 10.879 6.37586 10.5108 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 8.84656 18.3189 9.60411 16.7911 9.71307 6.20443 numMergedOcc 0
41 mol 152 unq 0 iso 0 dist 8.34839 6.11789 8.07256 5.65129 8.56324 10.4039 numMergedOcc 0
42 mol 152 unq 1 iso 0 dist 8.34839 6.11789 8.07256 10.5295 6.70283 11.1874 numMergedOcc 0
43 mol 152 unq 2 iso 0 dist 8.34839 6.11789 8.07256 10.7929 7.16148 8.36099 numMergedOcc 0
44 mol 167 unq 0 iso 0 dist 6.53913 4.88159 5.59806 12.4033 9.87651 8.66436 numMergedOcc 0
45 mol 196 unq 0 iso 0 dist 9.79271 9.31621 9.99314 4.07683 9.62191 6.70722 numMergedOcc 0
46 mol 214 unq 0 iso 0 dist 7.94344 5.58634 4.84709 7.31014 8.82096 4.55245 numMergedOcc 0
47 mol 224 unq 0 iso 0 dist 8.14754 13.7042 9.2053 7.43271 5.81334 6.51315 numMergedOcc 0
48 mol 235 unq 0 iso 0 dist 6.45574 9.7911 8.48065 6.70342 5.4638 5.23741 numMergedOcc 0
49 mol 235 unq 1 iso 0 dist 8.14407 10.656 8.48065 6.01036 5.4638 5.23741 numMergedOcc 0
50 mol 235 unq 2 iso 0 dist 7.8128 12.3178 9.11256 5.49043 5.4638 6.84447 numMergedOcc 0
51 mol 235 unq 3 iso 0 dist 7.8128 4.27313 7.08539 5.49043 5.4638 7.38431 numMergedOcc 0
52 mol 236 unq 0 iso 0 dist 5.77925 8.55909 8.90987 6.59536 8.03456 5.26654 numMergedOcc 0
53 mol 236 unq 1 iso 0 dist 5.77925 8.55909 8.90987 8.93012 6.84306 3.82437 numMergedOcc 0
54 mol 236 unq 2 iso 0 dist 5.77925 8.55909 8.90987 12.1686 9.99038 13.8124 numMergedOcc 0
55 mol 236 unq 3 iso 0 dist 5.77925 8.55909 8.90987 5.48757 9.78037 11.2846 numMergedOcc 0
56 mol 236 unq 4 iso 0 dist 5.77925 8.55909 8.90987 10.5925 8.35971 16.8883 numMergedOcc 0
57 mol 236 unq 5 iso 0 dist 8.95071 9.48296 5.66569 18.4732 9.99038 11.2013 numMergedOcc 0
58 mol 236 unq 6 iso 0 dist 8.95071 9.48296 5.66569 12.8358 6.27581 4.15973 numMergedOcc 0
59 mol 236 unq 7 iso 0 dist 8.95071 5.05085 6.11137 18.4732 9.99038 15.1664 numMergedOcc 0
60 mol 236 unq 8 iso 0 dist 8.95071 5.05085 6.11137 12.8358 6.27581 9.01197 numMergedOcc 0
61 mol 238 unq 0 iso 0 dist 9.39537 6.43015 6.24928 9.53107 6.57393 5.33567 numMergedOcc 0
62 mol 239 unq 0 iso 0 dist 8.82778 12.0443 6.44212 11.4665 6.16342 7.97883 numMergedOcc 0
63 mol 241 unq 0 iso 0 dist 8.23536 9.23513 9.10633 5.50714 7.4631 7.20238 numMergedOcc 0
64 mol 241 unq 1 iso 0 dist 6.90245 3.92006 9.10633 5.3674 7.4631 7.20238 numMergedOcc 0
65 mol 264 unq 0 iso 0 dist 7.37999 9.36659 8.43858 4.72487 9.361 10.2215 numMergedOcc 0
66 mol 264 unq 1 iso 0 dist 7.37999 9.36659 8.43858 11.0659 6.24356 8.55312 numMergedOcc 0
67 mol 264 unq 2 iso 0 dist 7.36703 6.52963 8.43858 5.28781 9.361 10.2215 numMergedOcc 0
68 mol 264 unq 3 iso 0 dist 7.36703 6.52963 8.43858 5.91731 6.24356 8.55312 numMergedOcc 0
69 mol 265 unq 0 iso 0 dist 8.49415 8.73438 9.772 4.05162 8.4218 5.75478 numMergedOcc 0
70 mol 277 unq 0 iso 0 dist 7.23956 12.7088 9.29635 15.6875 9.7748 10.8075 numMergedOcc 0
71 mol 294 unq 0 iso 0 dist 7.77765 6.22911 7.98617 9.62211 8.15665 10.2761 numMergedOcc 0
