0 mol 7 unq 0 iso 0 dist 5.51421 10.6104 8.41585 4.60206 5.99972 12.0193 3.52338 7.78327 13.5229 3.54153 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 5.95165 3.77561 4.61088 4.46394 5.96346 6.86684 10.5071 8.68293 7.28643 13.5125 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 5.95165 3.77561 4.61088 4.46394 5.96346 6.86684 9.80646 6.84216 9.68636 6.76736 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 7.13085 8.95682 6.18002 4.15592 9.02471 12.6657 10.4863 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 7.13085 8.95682 8.38399 4.15592 9.02471 14.0654 10.4863 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 4.88613 5.40367 6.35756 4.37642 7.68678 5.78774 6.09663 7.17488 4.59417 8.76454 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 3.88757 7.54568 10.2865 12.1387 8.04242 5.76272 13.5973 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 3.88757 7.54568 8.09967 12.1387 8.04242 8.18948 13.5973 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 3.88757 7.54568 4.65335 12.1387 8.04242 14.113 13.5973 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 7.43001 6.65501 4.4057 4.48773 7.92856 8.29813 11.6496 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.9747 10.4417 6.48948 7.43001 6.65501 7.42446 4.48773 7.92856 13.2057 11.6496 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 5.9747 11.3628 6.10456 7.43001 6.65501 9.67482 4.48773 7.92856 12.7473 11.6496 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 4.50572 6.88489 5.08437 9.5305 6.65501 4.4057 3.8493 7.92856 8.29813 11.6496 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 4.50572 9.63267 6.48948 9.5305 6.65501 7.42446 3.8493 7.92856 13.2057 11.6496 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 4.50572 9.82583 6.10456 9.5305 6.65501 9.67482 3.8493 7.92856 12.7473 11.6496 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 11.2266 8.8822 10.1816 5.96967 7.02367 5.37655 5.40648 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 8.89481 4.36935 5.86073 11.2266 8.8822 10.1816 7.52951 9.30832 5.46207 15.5674 numMergedOcc 0
17 mol 113 unq 2 iso 0 dist 8.89481 4.36935 5.86073 9.01097 9.66219 8.42718 5.96967 7.02367 5.37655 3.52111 numMergedOcc 0
18 mol 113 unq 3 iso 0 dist 8.89481 4.36935 5.86073 9.01097 9.66219 8.42718 7.52951 9.30832 5.46207 13.7232 numMergedOcc 0
19 mol 122 unq 0 iso 0 dist 6.78949 7.54208 8.37808 4.21285 8.88537 5.0355 6.80573 4.42563 7.90729 8.90201 numMergedOcc 0
20 mol 122 unq 1 iso 0 dist 6.78949 7.54208 8.37808 6.93382 9.23819 7.39059 6.80573 4.42563 7.90729 11.3935 numMergedOcc 0
21 mol 122 unq 2 iso 0 dist 9.40018 11.0216 8.37808 9.33734 8.88537 5.0355 12.9961 4.42563 7.90729 8.90201 numMergedOcc 0
22 mol 122 unq 3 iso 0 dist 9.40018 11.0216 8.37808 4.81033 9.23819 7.39059 12.9961 4.42563 7.90729 11.3935 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 4.34786 8.70296 14.2045 3.97269 8.80895 11.6692 5.92118 numMergedOcc 0
24 mol 131 unq 1 iso 0 dist 7.81337 11.4498 6.85062 11.6607 9.25558 5.09131 3.97269 8.80895 11.6692 10.2176 numMergedOcc 0
25 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 11.6678 7.78652 6.48978 9.81306 8.99891 9.14188 14.3396 numMergedOcc 0
26 mol 143 unq 1 iso 0 dist 8.30654 11.3469 5.99315 11.347 8.91301 5.20762 9.81306 8.99891 9.14188 12.476 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 6.78739 5.94469 7.77758 3.59953 8.29467 6.13927 3.63671 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 6.78739 5.94469 12.5387 3.59953 8.29467 13.2274 3.63671 numMergedOcc 0
29 mol 206 unq 0 iso 0 dist 9.36079 13.6173 7.7366 10.9922 6.16414 6.45859 12.9317 4.51255 7.83734 9.36584 numMergedOcc 0
30 mol 206 unq 1 iso 0 dist 9.36079 13.6173 7.7366 9.89331 7.33701 4.40897 12.9317 4.51255 7.83734 8.97305 numMergedOcc 0
31 mol 206 unq 2 iso 0 dist 9.36079 13.6173 7.7366 8.83984 8.0871 7.62219 12.9317 4.51255 7.83734 8.90838 numMergedOcc 0
32 mol 206 unq 3 iso 0 dist 7.42904 9.96254 7.7366 8.16827 6.16414 6.45859 10.8126 4.51255 7.83734 9.36584 numMergedOcc 0
33 mol 206 unq 4 iso 0 dist 7.42904 9.96254 7.7366 6.06766 7.33701 4.40897 10.8126 4.51255 7.83734 8.97305 numMergedOcc 0
34 mol 206 unq 5 iso 0 dist 7.42904 9.96254 7.7366 5.82916 8.0871 7.62219 10.8126 4.51255 7.83734 8.90838 numMergedOcc 0
35 mol 222 unq 0 iso 0 dist 9.55777 6.54251 8.01589 12.979 7.67576 10.3151 9.08651 5.1609 6.91863 3.98604 numMergedOcc 0
36 mol 222 unq 1 iso 0 dist 9.55777 6.54251 8.01589 4.05539 9.82371 8.52017 9.08651 5.1609 6.91863 7.99695 numMergedOcc 0
37 mol 222 unq 2 iso 0 dist 9.55777 15.3892 7.7699 12.979 7.67576 7.81022 9.08651 5.1609 8.26703 3.98604 numMergedOcc 0
38 mol 222 unq 3 iso 0 dist 9.55777 15.3892 7.7699 4.05539 9.82371 15.7504 9.08651 5.1609 8.26703 7.99695 numMergedOcc 0
39 mol 222 unq 4 iso 0 dist 9.55777 16.4881 7.21333 12.979 7.67576 7.75656 9.08651 5.1609 8.89157 3.98604 numMergedOcc 0
40 mol 222 unq 5 iso 0 dist 9.55777 16.4881 7.21333 4.05539 9.82371 16.0949 9.08651 5.1609 8.89157 7.99695 numMergedOcc 0
41 mol 235 unq 0 iso 0 dist 9.11256 6.84447 5.4638 3.93066 9.55668 7.60081 3.76405 8.08965 4.75609 6.82702 numMergedOcc 0
42 mol 235 unq 1 iso 0 dist 7.08539 7.38431 5.4638 13.0408 9.55668 7.60081 12.0808 8.08965 4.75609 6.82702 numMergedOcc 0
43 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 8.28901 8.84636 4.30299 3.71488 4.43499 4.32238 5.76503 numMergedOcc 0
44 mol 292 unq 0 iso 0 dist 9.20416 5.26243 8.2734 11.6878 7.07965 10.8848 3.64117 6.69619 4.02751 8.31265 numMergedOcc 0
45 mol 292 unq 1 iso 0 dist 9.20416 5.26243 8.2734 11.6878 7.07965 10.8848 7.30677 4.49592 5.99797 5.06937 numMergedOcc 0
46 mol 292 unq 2 iso 0 dist 7.53641 5.58251 8.2734 8.46139 7.07965 10.8848 6.97445 6.69619 4.02751 8.31265 numMergedOcc 0
47 mol 292 unq 3 iso 0 dist 7.53641 5.58251 8.2734 8.46139 7.07965 10.8848 5.33412 4.49592 5.99797 5.06937 numMergedOcc 0
