0 mol 7 unq 0 iso 0 dist 5.51421 10.6104 8.41585 3.52338 7.78327 13.5229 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 5.95165 3.77561 4.61088 10.5071 8.68293 7.28643 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 5.95165 3.77561 4.61088 9.80646 6.84216 9.68636 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 3.30063 7.98005 12.5438 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 9.7522 15.0931 8.34347 8.44515 8.31381 8.39015 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 7.10899 10.8741 9.24927 12.1168 9.99939 19.1023 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 5.73067 5.79134 7.50293 3.47751 8.83233 7.63536 numMergedOcc 0
7 mol 38 unq 1 iso 0 dist 5.73067 5.48241 9.91611 3.47751 8.83233 4.04384 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 4.15592 9.02471 12.6657 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 4.15592 9.02471 14.0654 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 4.88613 5.40367 6.35756 6.09663 7.17488 4.59417 numMergedOcc 0
11 mol 59 unq 0 iso 0 dist 9.00229 10.1484 8.95999 4.82623 8.30217 9.65136 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 12.1387 8.04242 5.76272 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 12.1387 8.04242 8.18948 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 12.1387 8.04242 14.113 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 3.48087 9.07128 10.8406 numMergedOcc 0
16 mol 88 unq 1 iso 0 dist 9.72689 13.7794 9.36773 10.0091 6.65615 4.47193 numMergedOcc 0
17 mol 88 unq 2 iso 0 dist 7.74197 4.0486 9.36773 12.4888 9.07128 10.8406 numMergedOcc 0
18 mol 88 unq 3 iso 0 dist 7.74197 4.0486 9.36773 6.15983 6.65615 4.47193 numMergedOcc 0
19 mol 88 unq 4 iso 0 dist 7.86537 4.0486 8.31336 6.15983 5.07548 4.47193 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 4.48773 7.92856 8.29813 numMergedOcc 0
21 mol 98 unq 1 iso 0 dist 5.9747 10.4417 6.48948 4.48773 7.92856 13.2057 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 5.9747 11.3628 6.10456 4.48773 7.92856 12.7473 numMergedOcc 0
23 mol 98 unq 3 iso 0 dist 4.50572 6.88489 5.08437 3.8493 7.92856 8.29813 numMergedOcc 0
24 mol 98 unq 4 iso 0 dist 4.50572 9.63267 6.48948 3.8493 7.92856 13.2057 numMergedOcc 0
25 mol 98 unq 5 iso 0 dist 4.50572 9.82583 6.10456 3.8493 7.92856 12.7473 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 5.96967 7.02367 5.37655 numMergedOcc 0
27 mol 113 unq 1 iso 0 dist 8.89481 4.36935 5.86073 7.52951 9.30832 5.46207 numMergedOcc 0
28 mol 120 unq 0 iso 0 dist 7.04864 4.5543 8.75408 4.74539 6.42623 5.6295 numMergedOcc 0
29 mol 120 unq 1 iso 0 dist 7.04864 4.5543 8.75408 11.4443 8.95899 8.97962 numMergedOcc 0
30 mol 120 unq 2 iso 0 dist 7.04864 6.81949 6.44653 4.74539 6.42623 3.824 numMergedOcc 0
31 mol 120 unq 3 iso 0 dist 7.04864 6.81949 6.44653 11.4443 8.95899 4.96885 numMergedOcc 0
32 mol 122 unq 0 iso 0 dist 6.78949 7.54208 8.37808 6.80573 4.42563 7.90729 numMergedOcc 0
33 mol 122 unq 1 iso 0 dist 9.40018 11.0216 8.37808 12.9961 4.42563 7.90729 numMergedOcc 0
34 mol 129 unq 0 iso 0 dist 9.28278 14.5776 8.54584 3.54691 7.97548 12.5321 numMergedOcc 0
35 mol 129 unq 1 iso 0 dist 9.28278 14.5776 8.54584 5.56761 9.64164 11.3755 numMergedOcc 0
36 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 3.97269 8.80895 11.6692 numMergedOcc 0
37 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 9.81306 8.99891 9.14188 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 12.8334 9.00072 12.2243 numMergedOcc 0
39 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 12.8334 9.00072 4.73288 numMergedOcc 0
40 mol 152 unq 2 iso 0 dist 8.07256 8.36099 7.16148 12.8334 9.00072 4.70284 numMergedOcc 0
41 mol 167 unq 0 iso 0 dist 5.59806 8.66436 9.87651 5.09728 5.36671 12.8624 numMergedOcc 0
42 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 3.59953 8.29467 6.13927 numMergedOcc 0
43 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 3.59953 8.29467 13.2274 numMergedOcc 0
44 mol 206 unq 0 iso 0 dist 9.36079 13.6173 7.7366 12.9317 4.51255 7.83734 numMergedOcc 0
45 mol 206 unq 1 iso 0 dist 7.42904 9.96254 7.7366 10.8126 4.51255 7.83734 numMergedOcc 0
46 mol 214 unq 0 iso 0 dist 4.84709 4.55245 8.82096 6.62122 9.06459 4.15355 numMergedOcc 0
47 mol 222 unq 0 iso 0 dist 9.55777 6.54251 8.01589 9.08651 5.1609 6.91863 numMergedOcc 0
48 mol 222 unq 1 iso 0 dist 9.55777 15.3892 7.7699 9.08651 5.1609 8.26703 numMergedOcc 0
49 mol 222 unq 2 iso 0 dist 9.55777 16.4881 7.21333 9.08651 5.1609 8.89157 numMergedOcc 0
50 mol 235 unq 0 iso 0 dist 9.11256 6.84447 5.4638 3.76405 8.08965 4.75609 numMergedOcc 0
51 mol 235 unq 1 iso 0 dist 7.08539 7.38431 5.4638 12.0808 8.08965 4.75609 numMergedOcc 0
52 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 3.71488 4.43499 4.32238 numMergedOcc 0
53 mol 253 unq 0 iso 0 dist 8.91612 5.11865 6.73034 9.82989 8.94786 8.57513 numMergedOcc 0
54 mol 253 unq 1 iso 0 dist 8.91612 5.11865 6.73034 10.2284 9.1927 6.0222 numMergedOcc 0
55 mol 253 unq 2 iso 0 dist 8.91612 5.11865 6.73034 9.31054 9.60694 6.93212 numMergedOcc 0
56 mol 253 unq 3 iso 0 dist 8.91612 5.11865 6.73034 13.0515 9.27311 10.2118 numMergedOcc 0
57 mol 256 unq 0 iso 0 dist 7.67598 8.99993 8.29103 8.46364 4.80903 5.08421 numMergedOcc 0
58 mol 259 unq 0 iso 0 dist 9.12507 5.59901 5.30224 10.6139 9.18798 5.96249 numMergedOcc 0
59 mol 259 unq 1 iso 0 dist 9.12507 5.59901 5.30224 9.58753 8.25897 5.97386 numMergedOcc 0
60 mol 261 unq 0 iso 0 dist 9.73983 4.49913 8.45658 10.4014 8.24356 11.4108 numMergedOcc 0
61 mol 277 unq 0 iso 0 dist 9.29635 10.8075 9.7748 7.31817 4.9764 11.8607 numMergedOcc 0
62 mol 277 unq 1 iso 0 dist 9.29635 10.8075 9.7748 3.91224 6.36559 10.9137 numMergedOcc 0
63 mol 292 unq 0 iso 0 dist 9.20416 5.26243 8.2734 3.64117 6.69619 4.02751 numMergedOcc 0
64 mol 292 unq 1 iso 0 dist 9.20416 5.26243 8.2734 7.30677 4.49592 5.99797 numMergedOcc 0
65 mol 292 unq 2 iso 0 dist 7.53641 5.58251 8.2734 6.97445 6.69619 4.02751 numMergedOcc 0
66 mol 292 unq 3 iso 0 dist 7.53641 5.58251 8.2734 5.33412 4.49592 5.99797 numMergedOcc 0
