0 mol 7 unq 0 iso 0 dist 6.22892 5.13744 6.36911 14.5008 13.2247 9.36807 10.9229 5.03847 9.97624 13.8829 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 9.10915 12.9814 8.68586 19.0957 10.6748 9.54144 12.219 6.21578 9.32552 11.4485 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 8.66921 11.75 8.68586 16.3435 10.6748 9.54144 14.1509 6.21578 9.32552 11.4485 numMergedOcc 0
3 mol 64 unq 2 iso 0 dist 5.54343 5.68492 8.68586 12.0432 10.6748 9.54144 9.23947 6.21578 9.32552 11.4485 numMergedOcc 0
4 mol 64 unq 3 iso 0 dist 9.99634 11.6323 9.54144 13.7301 10.6748 8.68586 17.7697 11.4485 9.32552 6.21578 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 4.24428 5.14919 5.64598 10.392 7.4697 8.70133 10.9561 8.44406 7.10439 5.11416 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 4.24428 5.14919 5.64598 6.30194 5.7113 4.65521 10.9561 8.44406 7.10439 6.56633 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 6.30194 5.14919 4.65521 10.392 5.4148 8.70133 10.9561 6.56633 7.10439 5.11416 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 6.30194 5.14919 4.65521 4.24428 5.7113 5.64598 10.9561 6.56633 7.10439 8.44406 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 5.79954 13.1044 8.70133 12.8368 7.4697 5.64598 6.66506 5.11416 7.10439 8.44406 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 5.79954 13.1044 8.70133 10.4766 5.4148 4.65521 6.66506 5.11416 7.10439 6.56633 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 7.01889 15.124 8.70133 12.424 7.4697 5.64598 11.8962 5.11416 7.10439 8.44406 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 7.01889 15.124 8.70133 10.997 5.4148 4.65521 11.8962 5.11416 7.10439 6.56633 numMergedOcc 0
13 mol 87 unq 0 iso 0 dist 9.1329 11.1364 7.51358 9.03114 7.40574 8.32298 13.9172 5.95671 7.2268 7.93998 numMergedOcc 0
14 mol 87 unq 1 iso 0 dist 9.1329 11.1364 7.51358 9.03114 7.40574 8.32298 11.2227 4.33593 9.69219 6.09884 numMergedOcc 0
15 mol 87 unq 2 iso 0 dist 5.26938 7.62644 7.51358 8.91602 7.40574 8.32298 10.3471 5.95671 7.2268 7.93998 numMergedOcc 0
16 mol 87 unq 3 iso 0 dist 5.26938 7.62644 7.51358 8.91602 7.40574 8.32298 8.97589 4.33593 9.69219 6.09884 numMergedOcc 0
17 mol 87 unq 4 iso 0 dist 6.8014 5.5768 7.51358 11.835 7.40574 8.32298 8.59105 5.95671 7.2268 7.93998 numMergedOcc 0
18 mol 87 unq 5 iso 0 dist 6.8014 5.5768 7.51358 11.835 7.40574 8.32298 10.562 4.33593 9.69219 6.09884 numMergedOcc 0
19 mol 87 unq 6 iso 0 dist 9.03114 11.1364 8.32298 9.1329 7.40574 7.51358 13.9172 7.93998 7.2268 5.95671 numMergedOcc 0
20 mol 87 unq 7 iso 0 dist 9.03114 11.1364 8.32298 9.1329 7.40574 7.51358 11.2227 6.09884 9.69219 4.33593 numMergedOcc 0
21 mol 87 unq 8 iso 0 dist 8.91602 7.62644 8.32298 5.26938 7.40574 7.51358 10.3471 7.93998 7.2268 5.95671 numMergedOcc 0
22 mol 87 unq 9 iso 0 dist 8.91602 7.62644 8.32298 5.26938 7.40574 7.51358 8.97589 6.09884 9.69219 4.33593 numMergedOcc 0
23 mol 92 unq 0 iso 0 dist 6.30103 9.81259 7.06013 10.2803 5.02055 5.81965 7.31426 8.51055 7.1539 8.55834 numMergedOcc 0
24 mol 92 unq 1 iso 0 dist 6.30103 9.81259 7.06013 10.2803 5.02055 5.81965 12.1756 11.3858 5.39745 9.50382 numMergedOcc 0
25 mol 92 unq 2 iso 0 dist 6.30103 9.81259 7.06013 14.2941 12.4494 9.70512 7.31426 8.51055 7.1539 7.76866 numMergedOcc 0
26 mol 92 unq 3 iso 0 dist 6.30103 9.81259 7.06013 14.2941 12.4494 9.70512 12.1756 11.3858 5.39745 7.56363 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 5.67862 6.30187 5.42582 10.738 5.49782 8.79571 10.8422 5.29786 8.73604 4.57832 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 5.67862 6.30187 5.42582 7.97208 5.00817 8.6355 10.8422 5.29786 8.73604 5.71679 numMergedOcc 0
29 mol 134 unq 2 iso 0 dist 7.97208 6.30187 8.6355 10.738 8.80819 8.79571 10.8422 5.71679 8.73604 4.57832 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 7.97208 6.30187 8.6355 5.67862 5.00817 5.42582 10.8422 5.71679 8.73604 5.29786 numMergedOcc 0
31 mol 140 unq 0 iso 0 dist 9.41832 6.92517 6.95323 5.44596 6.43459 7.27371 11.9127 5.64422 8.60108 7.3833 numMergedOcc 0
32 mol 140 unq 1 iso 0 dist 5.44596 6.92517 7.27371 9.41832 6.43459 6.95323 11.9127 7.3833 8.60108 5.64422 numMergedOcc 0
33 mol 143 unq 0 iso 0 dist 9.18691 9.53126 7.7056 13.6622 5.72828 7.31468 9.70994 8.57817 6.46089 10.0059 numMergedOcc 0
34 mol 143 unq 1 iso 0 dist 8.90592 4.85796 7.7056 10.0841 5.72828 7.31468 9.98349 8.57817 6.46089 10.0059 numMergedOcc 0
35 mol 155 unq 0 iso 0 dist 7.28355 10.0058 7.16254 10.2528 5.71071 9.14392 15.2852 10.4923 9.0529 6.89781 numMergedOcc 0
36 mol 155 unq 1 iso 0 dist 7.28355 10.5375 9.86313 10.2528 5.71071 7.51198 15.3814 11.0769 9.80845 5.50031 numMergedOcc 0
37 mol 155 unq 2 iso 0 dist 7.28355 10.5375 9.86313 10.2528 5.71071 7.51198 15.2852 10.4923 7.55196 6.89781 numMergedOcc 0
38 mol 175 unq 0 iso 0 dist 6.6776 10.2578 9.8589 11.1815 7.42466 7.24908 8.79832 8.29015 5.4997 4.63177 numMergedOcc 0
39 mol 175 unq 1 iso 0 dist 6.6776 10.2578 9.8589 11.1815 7.42466 7.24908 14.4708 14.7282 6.99693 9.30597 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 8.89538 13.2905 6.77463 13.8505 5.31152 8.14172 12.3944 10.4017 8.90076 12.2874 numMergedOcc 0
41 mol 238 unq 1 iso 0 dist 8.89538 13.2905 6.77463 13.8505 5.31152 8.14172 14.1787 7.95232 6.62002 7.11984 numMergedOcc 0
42 mol 238 unq 2 iso 0 dist 8.89538 10.4286 7.2766 15.5527 8.87326 6.05141 12.3944 10.4017 8.09718 10.7081 numMergedOcc 0
43 mol 238 unq 3 iso 0 dist 8.89538 10.4286 7.2766 15.5527 8.87326 6.05141 14.1787 7.95232 6.73446 5.50308 numMergedOcc 0
44 mol 238 unq 4 iso 0 dist 8.89538 10.4286 7.2766 13.8505 5.31152 8.09066 12.3944 10.4017 8.09718 12.2874 numMergedOcc 0
45 mol 238 unq 5 iso 0 dist 8.89538 10.4286 7.2766 13.8505 5.31152 8.09066 14.1787 7.95232 6.73446 7.11984 numMergedOcc 0
46 mol 256 unq 0 iso 0 dist 7.54586 5.34142 8.09363 9.9381 9.92128 5.24676 9.65136 10.134 7.48269 5.28793 numMergedOcc 0
47 mol 256 unq 1 iso 0 dist 7.54586 5.34142 8.09363 9.9381 9.92128 5.24676 9.47921 5.94495 6.71249 4.99672 numMergedOcc 0
48 mol 256 unq 2 iso 0 dist 7.54586 5.34142 8.09363 9.9381 9.92128 5.24676 13.6758 11.0837 9.18903 7.7384 numMergedOcc 0
49 mol 256 unq 3 iso 0 dist 8.43264 8.04009 5.24676 14.7387 9.92128 8.09363 7.54955 5.28793 7.48269 10.134 numMergedOcc 0
50 mol 256 unq 4 iso 0 dist 8.43264 8.04009 5.24676 14.7387 9.92128 8.09363 11.9361 4.99672 6.71249 5.94495 numMergedOcc 0
51 mol 256 unq 5 iso 0 dist 8.43264 8.04009 5.24676 14.7387 9.92128 8.09363 15.3583 7.7384 9.18903 11.0837 numMergedOcc 0
52 mol 282 unq 0 iso 0 dist 8.58671 4.91806 6.85028 11.0247 5.39891 7.32347 11.3626 7.80785 6.8972 6.6348 numMergedOcc 0
53 mol 282 unq 1 iso 0 dist 8.58671 4.91806 6.85028 10.3918 7.76539 8.3411 11.3626 7.80785 6.8972 6.3458 numMergedOcc 0
54 mol 282 unq 2 iso 0 dist 9.51581 10.8603 7.32347 14.1723 5.39891 6.85028 10.5547 6.6348 6.8972 7.80785 numMergedOcc 0
55 mol 282 unq 3 iso 0 dist 9.51581 10.8603 7.32347 16.4085 10.5372 8.3411 10.5547 6.6348 6.8972 6.3458 numMergedOcc 0
