0 mol 1 unq 0 iso 0 dist 8.10712 9.35554 5.59021 5.99543 10.9054 9.00903 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.31993 8.64855 5.51361 15.5387 13.4135 9.58196 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 6.3453 8.64855 11.0036 15.5387 19.9744 9.58196 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 8.62634 6.68517 6.05535 5.65481 9.04834 4.7319 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 6.68599 5.36895 8.61524 5.07641 11.48 7.99312 numMergedOcc 0
5 mol 41 unq 1 iso 0 dist 6.68599 5.36895 8.61524 8.54745 14.9543 8.2183 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 7.19567 6.84521 10.1001 5.84171 11.7216 5.73819 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 7.19567 8.90024 14.2671 13.9129 19.1124 8.80331 numMergedOcc 0
8 mol 43 unq 2 iso 0 dist 7.19567 8.90024 14.2671 5.84171 11.7216 6.20293 numMergedOcc 0
9 mol 43 unq 3 iso 0 dist 7.19567 6.78532 10.3556 5.84171 11.7216 8.93915 numMergedOcc 0
10 mol 43 unq 4 iso 0 dist 9.34433 6.84521 12.3867 5.84171 13.3384 5.73819 numMergedOcc 0
11 mol 43 unq 5 iso 0 dist 9.34433 8.90024 12.0037 13.9129 19.9708 8.80331 numMergedOcc 0
12 mol 43 unq 6 iso 0 dist 9.34433 8.90024 12.0037 5.84171 13.3384 6.20293 numMergedOcc 0
13 mol 43 unq 7 iso 0 dist 9.34433 6.78532 6.9067 5.84171 13.3384 8.93915 numMergedOcc 0
14 mol 61 unq 0 iso 0 dist 7.96502 5.50504 6.32949 7.62418 9.59947 6.65721 numMergedOcc 0
15 mol 61 unq 1 iso 0 dist 7.96502 5.50504 6.32949 6.53977 12.3891 6.72123 numMergedOcc 0
16 mol 64 unq 0 iso 0 dist 8.71324 9.56181 9.73304 7.70414 9.10915 9.67592 numMergedOcc 0
17 mol 64 unq 1 iso 0 dist 9.5663 9.56181 5.59762 7.70414 5.54343 9.67592 numMergedOcc 0
18 mol 70 unq 0 iso 0 dist 8.78888 9.49626 9.44493 15.643 18.6344 9.65964 numMergedOcc 0
19 mol 72 unq 0 iso 0 dist 8.06901 5.48831 5.86484 13.0773 13.6843 9.96708 numMergedOcc 0
20 mol 72 unq 1 iso 0 dist 8.06901 5.48831 5.86484 10.5933 15.4072 9.78528 numMergedOcc 0
21 mol 78 unq 0 iso 0 dist 9.93275 9.29446 9.54341 11.2307 13.2707 7.9245 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 8.98532 8.3558 5.1767 15.1474 10.9081 7.4729 numMergedOcc 0
23 mol 92 unq 1 iso 0 dist 8.98532 8.3558 5.1767 8.66262 10.3582 6.82344 numMergedOcc 0
24 mol 94 unq 0 iso 0 dist 6.63924 6.31237 6.0901 6.26149 11.1445 7.89459 numMergedOcc 0
25 mol 95 unq 0 iso 0 dist 5.84349 7.90775 4.33346 4.16047 8.26838 9.03572 numMergedOcc 0
26 mol 102 unq 0 iso 0 dist 7.90927 8.84131 9.9427 8.90571 13.5476 7.36792 numMergedOcc 0
27 mol 102 unq 1 iso 0 dist 6.7095 8.84131 7.49575 8.90571 9.0361 7.36792 numMergedOcc 0
28 mol 114 unq 0 iso 0 dist 6.15949 6.71345 5.24877 6.49725 9.24515 7.5732 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 9.18707 8.64107 5.74878 4.82909 6.09472 4.99221 numMergedOcc 0
30 mol 115 unq 1 iso 0 dist 9.18707 9.50575 11.7723 6.68557 12.9952 5.11551 numMergedOcc 0
31 mol 115 unq 2 iso 0 dist 5.91786 8.64107 7.09627 4.82909 6.20658 4.99221 numMergedOcc 0
32 mol 115 unq 3 iso 0 dist 5.91786 9.50575 7.10772 6.68557 7.83568 5.11551 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 6.7402 4.68975 8.08748 9.30817 13.9196 9.89303 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 6.7402 8.84656 8.44345 10.879 13.403 6.37586 numMergedOcc 0
35 mol 134 unq 2 iso 0 dist 6.7402 8.84656 8.44345 16.7911 18.124 9.71307 numMergedOcc 0
36 mol 134 unq 3 iso 0 dist 6.7402 4.9155 7.46245 9.30817 13.9196 6.54501 numMergedOcc 0
37 mol 134 unq 4 iso 0 dist 6.7402 4.9155 7.46245 10.879 13.403 6.49416 numMergedOcc 0
38 mol 143 unq 0 iso 0 dist 8.80779 7.73769 7.64386 7.36837 12.5183 5.99315 numMergedOcc 0
39 mol 178 unq 0 iso 0 dist 9.3355 8.04723 13.6129 14.4072 18.3231 6.69288 numMergedOcc 0
40 mol 178 unq 1 iso 0 dist 9.3355 8.04723 13.6129 13.0519 19.4581 6.43573 numMergedOcc 0
41 mol 178 unq 2 iso 0 dist 9.3355 8.04723 13.6129 10.5681 17.5964 7.17202 numMergedOcc 0
42 mol 178 unq 3 iso 0 dist 9.3355 8.04723 13.6129 9.1499 17.9703 8.81551 numMergedOcc 0
43 mol 181 unq 0 iso 0 dist 9.614 8.27794 11.0057 4.89429 13.565 9.09537 numMergedOcc 0
44 mol 209 unq 0 iso 0 dist 9.20752 5.92907 9.95971 5.35615 11.2774 7.56373 numMergedOcc 0
45 mol 214 unq 0 iso 0 dist 7.21766 7.94344 3.99247 7.31014 10.8385 8.82096 numMergedOcc 0
46 mol 232 unq 0 iso 0 dist 9.10154 7.57253 5.45696 9.29407 13.353 8.27212 numMergedOcc 0
47 mol 236 unq 0 iso 0 dist 5.46484 8.95071 6.49831 18.4732 16.3801 9.99038 numMergedOcc 0
48 mol 236 unq 1 iso 0 dist 5.46484 8.95071 6.49831 12.8358 12.2331 6.27581 numMergedOcc 0
49 mol 241 unq 0 iso 0 dist 7.16232 6.90245 7.93809 5.3674 6.40592 7.4631 numMergedOcc 0
50 mol 243 unq 0 iso 0 dist 7.72368 7.80612 6.64693 9.62983 13.8538 8.23192 numMergedOcc 0
51 mol 261 unq 0 iso 0 dist 6.93654 9.80409 13.3163 4.63237 11.3146 9.14619 numMergedOcc 0
52 mol 261 unq 1 iso 0 dist 6.93654 9.80409 13.3163 6.39263 8.50313 8.45658 numMergedOcc 0
53 mol 261 unq 2 iso 0 dist 9.66298 9.80409 13.6041 4.63237 13.063 9.14619 numMergedOcc 0
54 mol 261 unq 3 iso 0 dist 9.66298 9.80409 13.6041 6.39263 7.6414 8.45658 numMergedOcc 0
55 mol 278 unq 0 iso 0 dist 7.74708 9.91518 4.69872 12.8387 11.9787 8.44326 numMergedOcc 0
56 mol 278 unq 1 iso 0 dist 6.03414 9.91518 8.66976 12.8387 15.1476 8.44326 numMergedOcc 0
57 mol 278 unq 2 iso 0 dist 9.82026 9.91518 17.1306 12.8387 22.2099 8.44326 numMergedOcc 0
