0 mol 19 unq 0 iso 0 dist 7.20519 7.82528 10.4988 4.97119 10.741 5.82366 6.864 7.07775 4.69858 6.41423 5.5841 9.80108 10.7418 5.90856 8.58657 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 7.20519 9.80108 5.5841 4.96411 7.75618 7.02548 10.4091 7.67038 6.74265 8.40416 10.4988 7.82528 10.7418 11.4087 6.20943 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 8.4674 6.20943 5.14627 4.64838 6.41575 5.82366 4.51865 5.80928 4.69858 6.41423 6.74265 9.58539 10.7418 5.90856 8.58657 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 4.54938 7.82528 5.14627 4.97119 6.41575 5.82366 6.864 5.80928 4.69858 6.41423 5.5841 9.58539 10.7418 5.90856 8.58657 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 4.51865 8.58657 6.74265 7.08342 8.40416 7.02548 6.864 7.67038 5.5841 7.75618 11.4401 13.4721 9.95011 6.2337 8.78293 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 4.51865 8.58657 6.74265 7.08342 8.40416 7.02548 6.864 7.67038 5.5841 7.75618 12.3093 14.6255 13.6944 14.4867 8.23643 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 4.51865 8.58657 6.74265 7.08342 8.40416 7.02548 6.864 7.67038 5.5841 7.75618 4.69858 6.20943 10.7418 11.4087 7.82528 numMergedOcc 0
7 mol 19 unq 7 iso 0 dist 6.864 8.58657 5.5841 7.08342 7.75618 7.02548 4.51865 7.67038 6.74265 8.40416 4.69858 7.82528 10.7418 11.4087 6.20943 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 7.58835 9.20119 6.89191 10.7082 10.6216 5.55096 11.5838 5.101 5.54436 9.53378 5.67689 6.34173 8.59109 8.70414 9.43442 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 6.64012 6.46761 5.24906 5.85698 9.86039 9.11258 10.3224 9.94737 6.47744 8.80614 6.61756 10.9283 7.01363 8.88332 9.58673 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 6.64012 7.58407 5.11205 11.387 12.3035 8.71468 13.4544 10.6169 6.75888 7.21955 14.7581 13.7148 8.80108 10.8421 8.26899 numMergedOcc 0
11 mol 58 unq 2 iso 0 dist 9.4099 9.73139 5.24906 12.2123 9.86039 9.11258 15.4557 9.94737 6.47744 8.80614 8.94672 10.9283 7.01363 8.88332 9.58673 numMergedOcc 0
12 mol 58 unq 3 iso 0 dist 9.4099 6.31428 5.11205 5.74871 12.3035 8.71468 9.55426 10.6169 6.75888 7.21955 10.3782 13.7148 8.80108 10.8421 8.26899 numMergedOcc 0
13 mol 58 unq 4 iso 0 dist 9.55426 9.73139 13.1021 12.2123 18.8985 9.11258 15.4557 19.4068 6.47744 8.80614 8.94672 16.3779 7.01363 8.88332 9.58673 numMergedOcc 0
14 mol 59 unq 0 iso 0 dist 6.85766 6.71911 7.29033 9.64444 14.8852 9.2902 7.71095 10.0246 5.33688 6.73347 5.3525 10.6318 6.5096 7.0313 8.24062 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 7.4729 5.81965 6.99832 8.55834 10.5753 7.1539 12.4557 15.2227 9.97281 5.37007 12.3435 16.1081 13.3416 6.85455 7.96555 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 6.82344 9.70512 6.99832 7.76866 10.5753 7.1539 13.0635 15.2227 9.97281 5.37007 11.3503 16.1081 13.3416 6.85455 7.96555 numMergedOcc 0
17 mol 126 unq 0 iso 0 dist 6.06638 7.75534 7.01257 8.01268 10.0699 5.14819 12.1603 12.1412 5.15767 6.29233 11.3045 15.3866 10.4559 6.36036 9.5574 numMergedOcc 0
18 mol 126 unq 1 iso 0 dist 6.06638 7.75534 7.01257 10.2072 12.8712 6.84245 12.1603 12.1412 5.15767 5.42406 11.3045 15.3866 10.4559 4.28167 9.5574 numMergedOcc 0
19 mol 155 unq 0 iso 0 dist 6.23493 7.16254 6.3845 10.4923 10.9606 9.0529 12.1555 10.6882 5.48883 8.69157 4.9093 9.17284 6.51096 7.6506 9.87281 numMergedOcc 0
20 mol 155 unq 1 iso 0 dist 6.23493 7.16254 6.3845 10.4923 10.9606 9.0529 12.1555 10.6882 5.48883 8.69157 13.9869 14.592 11.1032 4.40321 8.65888 numMergedOcc 0
21 mol 155 unq 2 iso 0 dist 6.23493 7.16254 6.3845 10.4923 10.9606 9.0529 12.1555 10.6882 5.48883 8.69157 10.7896 13.2459 8.73171 6.00473 8.27111 numMergedOcc 0
22 mol 155 unq 3 iso 0 dist 6.23493 7.16254 6.3845 10.4923 10.9606 9.0529 13.5605 10.7349 9.36596 6.53347 13.5062 12.1081 13.2154 6.40403 7.39644 numMergedOcc 0
23 mol 155 unq 4 iso 0 dist 6.23493 7.16254 6.3845 10.4923 10.9606 9.0529 13.5605 10.7349 9.36596 6.53347 13.9869 14.592 11.1032 4.40321 7.70572 numMergedOcc 0
24 mol 155 unq 5 iso 0 dist 6.23493 9.86313 5.86939 11.0769 12.2416 9.80845 10.2463 7.66392 6.34186 7.92304 18.174 15.9495 11.3251 9.50478 9.38946 numMergedOcc 0
25 mol 155 unq 6 iso 0 dist 6.23493 9.86313 5.86939 11.0769 12.2416 9.80845 10.2463 7.66392 6.34186 7.92304 13.5062 12.1081 7.37901 5.50045 7.36102 numMergedOcc 0
26 mol 155 unq 7 iso 0 dist 6.23493 9.86313 5.86939 10.4923 10.9606 7.55196 12.1555 10.6882 8.78665 8.69157 4.9093 9.17284 10.3514 7.6506 9.87281 numMergedOcc 0
27 mol 155 unq 8 iso 0 dist 6.23493 9.86313 5.86939 10.4923 10.9606 7.55196 12.1555 10.6882 8.78665 8.69157 13.9869 14.592 10.9049 4.40321 8.65888 numMergedOcc 0
28 mol 155 unq 9 iso 0 dist 6.23493 9.86313 5.86939 10.4923 10.9606 7.55196 12.1555 10.6882 8.78665 8.69157 10.7896 13.2459 11.8293 6.00473 8.27111 numMergedOcc 0
29 mol 155 unq 10 iso 0 dist 6.23493 9.86313 5.86939 10.4923 10.9606 7.55196 13.5605 10.7349 5.40375 6.53347 13.5062 12.1081 7.37901 6.40403 7.39644 numMergedOcc 0
30 mol 155 unq 11 iso 0 dist 6.23493 9.86313 5.86939 10.4923 10.9606 7.55196 13.5605 10.7349 5.40375 6.53347 13.9869 14.592 10.9049 4.40321 7.70572 numMergedOcc 0
31 mol 155 unq 12 iso 0 dist 7.46303 9.14392 6.3845 6.89781 10.9606 9.0529 12.3052 10.6882 5.48883 8.69157 6.3437 9.17284 6.51096 7.6506 9.87281 numMergedOcc 0
32 mol 155 unq 13 iso 0 dist 7.46303 9.14392 6.3845 6.89781 10.9606 9.0529 12.3052 10.6882 5.48883 8.69157 11.1591 14.592 11.1032 4.40321 8.65888 numMergedOcc 0
33 mol 155 unq 14 iso 0 dist 7.46303 9.14392 6.3845 6.89781 10.9606 9.0529 12.3052 10.6882 5.48883 8.69157 9.99927 13.2459 8.73171 6.00473 8.27111 numMergedOcc 0
34 mol 155 unq 15 iso 0 dist 7.46303 9.14392 6.3845 6.89781 10.9606 9.0529 10.7829 10.7349 9.36596 6.53347 8.27726 12.1081 13.2154 6.40403 7.39644 numMergedOcc 0
35 mol 155 unq 16 iso 0 dist 7.46303 9.14392 6.3845 6.89781 10.9606 9.0529 10.7829 10.7349 9.36596 6.53347 11.1591 14.592 11.1032 4.40321 7.70572 numMergedOcc 0
36 mol 155 unq 17 iso 0 dist 7.46303 7.51198 5.86939 5.50031 12.2416 9.80845 6.43582 7.66392 6.34186 7.92304 12.8482 15.9495 11.3251 9.50478 9.38946 numMergedOcc 0
37 mol 155 unq 18 iso 0 dist 7.46303 7.51198 5.86939 5.50031 12.2416 9.80845 6.43582 7.66392 6.34186 7.92304 8.27726 12.1081 7.37901 5.50045 7.36102 numMergedOcc 0
38 mol 155 unq 19 iso 0 dist 7.46303 7.51198 5.86939 6.89781 10.9606 7.55196 12.3052 10.6882 8.78665 8.69157 6.3437 9.17284 10.3514 7.6506 9.87281 numMergedOcc 0
39 mol 155 unq 20 iso 0 dist 7.46303 7.51198 5.86939 6.89781 10.9606 7.55196 12.3052 10.6882 8.78665 8.69157 11.1591 14.592 10.9049 4.40321 8.65888 numMergedOcc 0
40 mol 155 unq 21 iso 0 dist 7.46303 7.51198 5.86939 6.89781 10.9606 7.55196 12.3052 10.6882 8.78665 8.69157 9.99927 13.2459 11.8293 6.00473 8.27111 numMergedOcc 0
41 mol 155 unq 22 iso 0 dist 7.46303 7.51198 5.86939 6.89781 10.9606 7.55196 10.7829 10.7349 5.40375 6.53347 8.27726 12.1081 7.37901 6.40403 7.39644 numMergedOcc 0
42 mol 155 unq 23 iso 0 dist 7.46303 7.51198 5.86939 6.89781 10.9606 7.55196 10.7829 10.7349 5.40375 6.53347 11.1591 14.592 10.9049 4.40321 7.70572 numMergedOcc 0
43 mol 155 unq 24 iso 0 dist 6.43582 9.14392 12.1814 6.89781 10.3161 9.0529 12.3052 14.7007 5.48883 8.69157 6.3437 12.2465 6.51096 7.6506 9.87281 numMergedOcc 0
44 mol 155 unq 25 iso 0 dist 6.43582 9.14392 12.1814 6.89781 10.3161 9.0529 12.3052 14.7007 5.48883 8.69157 11.1591 14.545 11.1032 4.40321 8.65888 numMergedOcc 0
45 mol 155 unq 26 iso 0 dist 6.43582 9.14392 12.1814 6.89781 10.3161 9.0529 12.3052 14.7007 5.48883 8.69157 9.99927 15.1841 8.73171 6.00473 8.27111 numMergedOcc 0
46 mol 155 unq 27 iso 0 dist 6.43582 9.14392 12.1814 6.89781 10.3161 9.0529 10.7829 10.7616 9.36596 6.53347 8.27726 7.36102 13.2154 6.40403 7.39644 numMergedOcc 0
47 mol 155 unq 28 iso 0 dist 6.43582 9.14392 12.1814 6.89781 10.3161 9.0529 10.7829 10.7616 9.36596 6.53347 11.1591 14.545 11.1032 4.40321 7.70572 numMergedOcc 0
48 mol 155 unq 29 iso 0 dist 6.43582 7.51198 6.34186 6.89781 10.3161 7.55196 12.3052 14.7007 8.78665 8.69157 6.3437 12.2465 10.3514 7.6506 9.87281 numMergedOcc 0
49 mol 155 unq 30 iso 0 dist 6.43582 7.51198 6.34186 6.89781 10.3161 7.55196 12.3052 14.7007 8.78665 8.69157 11.1591 14.545 10.9049 4.40321 8.65888 numMergedOcc 0
50 mol 155 unq 31 iso 0 dist 6.43582 7.51198 6.34186 6.89781 10.3161 7.55196 12.3052 14.7007 8.78665 8.69157 9.99927 15.1841 11.8293 6.00473 8.27111 numMergedOcc 0
51 mol 155 unq 32 iso 0 dist 6.43582 7.51198 6.34186 6.89781 10.3161 7.55196 10.7829 10.7616 5.40375 6.53347 8.27726 7.36102 7.37901 6.40403 7.39644 numMergedOcc 0
52 mol 155 unq 33 iso 0 dist 6.43582 7.51198 6.34186 6.89781 10.3161 7.55196 10.7829 10.7616 5.40375 6.53347 11.1591 14.545 10.9049 4.40321 7.70572 numMergedOcc 0
53 mol 156 unq 0 iso 0 dist 8.94056 6.27641 8.67156 5.4555 7.90267 5.81122 7.44554 5.56175 7.29758 9.44367 6.29785 13.1853 6.90155 10.143 9.36805 numMergedOcc 0
54 mol 156 unq 1 iso 0 dist 9.83699 6.27641 4.53931 5.4555 10.3379 5.81122 7.44554 8.38403 7.29758 9.44367 6.29785 7.55203 6.90155 10.143 9.36805 numMergedOcc 0
55 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 6.6251 6.2479 9.06217 5.98885 8.88798 5.86342 7.99195 5.4601 10.2276 10.5561 4.69841 7.20046 numMergedOcc 0
56 mol 181 unq 1 iso 0 dist 9.1374 6.94688 6.25083 6.6251 6.2479 9.06217 5.98885 8.88798 5.86342 7.99195 10.0524 10.7636 11.7007 7.23063 7.13543 numMergedOcc 0
57 mol 181 unq 2 iso 0 dist 9.1374 6.71012 4.77278 6.6251 6.2479 7.13252 5.98885 8.88798 9.14057 7.99195 5.4601 10.2276 9.94131 4.69841 7.20046 numMergedOcc 0
58 mol 181 unq 3 iso 0 dist 9.1374 6.71012 4.77278 6.6251 6.2479 7.13252 5.98885 8.88798 9.14057 7.99195 10.0524 10.7636 12.8673 7.23063 7.13543 numMergedOcc 0
59 mol 181 unq 4 iso 0 dist 9.15386 6.94688 6.80228 6.6251 12.8533 9.06217 5.98885 5.16002 5.86342 7.99195 5.4601 11.968 10.5561 4.69841 7.20046 numMergedOcc 0
60 mol 181 unq 5 iso 0 dist 9.15386 6.94688 6.80228 6.6251 12.8533 9.06217 5.98885 5.16002 5.86342 7.99195 10.0524 11.8099 11.7007 7.23063 7.13543 numMergedOcc 0
61 mol 181 unq 6 iso 0 dist 9.15386 6.71012 11.6919 6.6251 12.8533 7.13252 5.98885 5.16002 9.14057 7.99195 5.4601 11.968 9.94131 4.69841 7.20046 numMergedOcc 0
62 mol 181 unq 7 iso 0 dist 9.15386 6.71012 11.6919 6.6251 12.8533 7.13252 5.98885 5.16002 9.14057 7.99195 10.0524 11.8099 12.8673 7.23063 7.13543 numMergedOcc 0
63 mol 181 unq 8 iso 0 dist 7.81386 7.98142 9.53462 5.63555 10.4943 5.97685 7.63312 8.85576 9.60512 5.9176 4.80231 11.4148 10.7841 5.60306 6.93764 numMergedOcc 0
64 mol 181 unq 9 iso 0 dist 7.81386 7.37327 11.1462 5.63555 10.4943 8.9289 7.63312 8.85576 13.3389 5.9176 4.80231 11.4148 11.1129 5.60306 6.93764 numMergedOcc 0
65 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 10.0059 17.6227 7.43663 10.3625 19.022 5.9221 7.32499 5.56749 15.004 8.49841 7.17691 6.16063 numMergedOcc 0
66 mol 234 unq 1 iso 0 dist 6.7625 9.5707 14.4106 10.0059 12.6238 7.43663 10.3625 16.0265 5.9221 7.32499 5.56749 10.8628 8.49841 7.17691 6.16063 numMergedOcc 0
67 mol 235 unq 0 iso 0 dist 5.4638 8.21247 4.65302 7.60081 9.55668 7.95766 11.3258 9.89669 6.43692 6.95126 10.6981 10.7117 7.27958 4.29892 5.65339 numMergedOcc 0
