0 mol 15 unq 0 iso 0 dist 9.97507 8.38064 9.03536 6.49982 8.28153 11.7793 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 4.51865 8.4674 5.80928 4.44441 7.7312 10.1278 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.864 7.20519 7.07775 10.0411 7.7312 14.2009 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 6.864 4.54938 5.80928 10.0411 7.7312 10.1278 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 8.66248 7.49157 14.9512 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 6.73521 7.73794 12.1131 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 5.54419 7.36323 12.3067 6.7846 8.23075 10.551 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 5.54419 7.36323 12.3067 8.03955 4.7841 14.1707 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 9.86609 7.39848 11.4251 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 6.20293 5.73819 5.06502 14.0654 9.02471 13.9823 numMergedOcc 0
10 mol 43 unq 2 iso 0 dist 6.20293 8.93915 6.45462 14.0654 9.02471 13.2795 numMergedOcc 0
11 mol 45 unq 0 iso 0 dist 7.58835 7.2846 8.81358 5.84319 8.27463 12.3849 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 4.25144 7.4785 6.39747 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 6.81627 9.55426 9.7274 4.25144 7.4785 10.307 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 7.32874 6.81627 5.47421 8.44881 8.34191 12.1872 numMergedOcc 0
15 mol 58 unq 3 iso 0 dist 7.32874 6.81627 5.47421 4.25144 6.39747 7.4785 numMergedOcc 0
16 mol 58 unq 4 iso 0 dist 7.32874 9.55426 5.90225 8.44881 8.34191 9.79064 numMergedOcc 0
17 mol 58 unq 5 iso 0 dist 7.32874 9.55426 5.90225 4.25144 6.39747 10.307 numMergedOcc 0
18 mol 58 unq 6 iso 0 dist 6.86465 6.62496 5.30792 4.59417 9.23438 9.9105 numMergedOcc 0
19 mol 58 unq 7 iso 0 dist 6.86465 6.35756 5.35073 4.59417 9.23438 7.17488 numMergedOcc 0
20 mol 58 unq 8 iso 0 dist 6.35756 6.86465 5.35073 4.59417 7.17488 9.23438 numMergedOcc 0
21 mol 58 unq 9 iso 0 dist 6.35756 6.62496 4.81926 4.59417 7.17488 9.9105 numMergedOcc 0
22 mol 58 unq 10 iso 0 dist 6.64012 9.4099 6.47414 5.87468 6.79356 12.2384 numMergedOcc 0
23 mol 58 unq 11 iso 0 dist 9.55426 9.4099 10.6169 10.5901 9.4278 16.824 numMergedOcc 0
24 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 10.7434 4.86198 6.62699 numMergedOcc 0
25 mol 72 unq 1 iso 0 dist 9.78528 9.96708 8.24309 10.7434 6.62699 4.86198 numMergedOcc 0
26 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 4.73407 6.23522 11.3218 numMergedOcc 0
27 mol 73 unq 1 iso 0 dist 9.38498 9.75218 13.7412 4.73407 6.23522 12.8353 numMergedOcc 0
28 mol 73 unq 2 iso 0 dist 8.70481 9.96396 14.9342 15.1432 7.37171 21.1182 numMergedOcc 0
29 mol 73 unq 3 iso 0 dist 8.70481 6.19304 13.3558 15.1432 7.37171 19.3924 numMergedOcc 0
30 mol 75 unq 0 iso 0 dist 7.79912 8.56639 5.64643 4.74027 9.16597 11.7473 numMergedOcc 0
31 mol 75 unq 1 iso 0 dist 7.79912 8.59017 10.4899 4.74027 9.16597 13.2779 numMergedOcc 0
32 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 8.37717 9.01812 9.90583 numMergedOcc 0
33 mol 85 unq 1 iso 0 dist 7.95579 7.66905 10.7229 8.37717 9.01812 15.0494 numMergedOcc 0
34 mol 85 unq 2 iso 0 dist 6.19965 7.97049 5.42586 8.18948 8.04242 11.5901 numMergedOcc 0
35 mol 85 unq 3 iso 0 dist 7.66905 7.47541 5.42586 14.113 8.04242 11.5901 numMergedOcc 0
36 mol 85 unq 4 iso 0 dist 7.66905 5.73196 10.1164 14.113 8.04242 17.4114 numMergedOcc 0
37 mol 88 unq 0 iso 0 dist 9.36773 8.31336 5.57085 10.8406 9.07128 10.3871 numMergedOcc 0
38 mol 88 unq 1 iso 0 dist 9.36773 8.31336 5.57085 4.47193 6.65615 5.07548 numMergedOcc 0
39 mol 88 unq 2 iso 0 dist 8.31336 9.36773 5.57085 4.47193 5.07548 6.65615 numMergedOcc 0
40 mol 95 unq 0 iso 0 dist 7.2658 9.01083 5.53837 4.70965 6.38004 10.2966 numMergedOcc 0
41 mol 95 unq 1 iso 0 dist 9.03572 8.83255 6.59319 4.73066 7.51733 9.01607 numMergedOcc 0
42 mol 95 unq 2 iso 0 dist 9.03572 8.03644 16.6055 4.73066 7.51733 11.5898 numMergedOcc 0
43 mol 95 unq 3 iso 0 dist 8.83255 9.03572 6.59319 4.73066 9.01607 7.51733 numMergedOcc 0
44 mol 95 unq 4 iso 0 dist 8.83255 8.03644 13.8105 4.73066 9.01607 11.5898 numMergedOcc 0
45 mol 115 unq 0 iso 0 dist 6.90986 7.11972 10.498 6.34182 5.93278 12.8676 numMergedOcc 0
46 mol 115 unq 1 iso 0 dist 6.90986 7.11972 10.498 8.66957 6.19918 14.3131 numMergedOcc 0
47 mol 115 unq 2 iso 0 dist 5.39945 6.90986 5.67807 4.18693 4.76974 9.28256 numMergedOcc 0
48 mol 115 unq 3 iso 0 dist 5.39945 6.90986 5.67807 7.41059 8.0336 12.9131 numMergedOcc 0
49 mol 120 unq 0 iso 0 dist 6.44653 8.75408 5.23036 5.61274 7.53694 12.0528 numMergedOcc 0
50 mol 120 unq 1 iso 0 dist 6.44653 8.75408 5.23036 3.35803 8.38358 10.8176 numMergedOcc 0
51 mol 129 unq 0 iso 0 dist 8.54584 8.53613 4.61027 12.5321 7.97548 9.9291 numMergedOcc 0
52 mol 129 unq 1 iso 0 dist 8.54584 8.53613 4.61027 11.3755 9.64164 12.7196 numMergedOcc 0
53 mol 129 unq 2 iso 0 dist 8.53613 8.54584 4.61027 12.5321 9.9291 7.97548 numMergedOcc 0
54 mol 131 unq 0 iso 0 dist 6.85062 8.40312 10.7062 11.6692 8.80895 17.775 numMergedOcc 0
55 mol 131 unq 1 iso 0 dist 6.85062 7.12972 6.63273 11.6692 8.80895 12.9064 numMergedOcc 0
56 mol 133 unq 0 iso 0 dist 6.5107 9.52634 9.56949 6.12885 5.78814 11.6108 numMergedOcc 0
57 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 4.05822 8.04118 8.39035 numMergedOcc 0
58 mol 142 unq 1 iso 0 dist 9.2313 8.96657 11.1395 4.05822 8.04118 11.6454 numMergedOcc 0
59 mol 142 unq 2 iso 0 dist 5.31024 7.26382 5.50998 4.7832 8.04118 8.39035 numMergedOcc 0
60 mol 142 unq 3 iso 0 dist 7.73169 9.2313 5.50998 4.05822 8.39035 8.04118 numMergedOcc 0
61 mol 142 unq 4 iso 0 dist 7.73169 8.96657 5.92693 4.05822 8.39035 11.6454 numMergedOcc 0
62 mol 142 unq 5 iso 0 dist 7.26382 5.31024 5.50998 4.7832 8.39035 8.04118 numMergedOcc 0
63 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 4.68615 6.79114 10.338 numMergedOcc 0
64 mol 152 unq 1 iso 0 dist 5.87555 6.70283 5.42328 4.73288 7.59457 9.00072 numMergedOcc 0
65 mol 152 unq 2 iso 0 dist 5.87555 8.67331 5.54906 4.68615 6.79114 10.3706 numMergedOcc 0
66 mol 152 unq 3 iso 0 dist 5.87555 8.67331 5.54906 4.73288 7.59457 7.55419 numMergedOcc 0
67 mol 152 unq 4 iso 0 dist 8.87437 7.16148 5.42328 9.35878 6.79114 10.338 numMergedOcc 0
68 mol 152 unq 5 iso 0 dist 8.87437 7.16148 5.42328 4.70284 7.59457 9.00072 numMergedOcc 0
69 mol 152 unq 6 iso 0 dist 8.87437 8.05741 5.54906 9.35878 6.79114 10.3706 numMergedOcc 0
70 mol 152 unq 7 iso 0 dist 8.87437 8.05741 5.54906 4.70284 7.59457 7.55419 numMergedOcc 0
71 mol 152 unq 8 iso 0 dist 8.56324 6.70283 7.65448 9.73449 7.55934 11.2397 numMergedOcc 0
72 mol 152 unq 9 iso 0 dist 8.56324 7.16148 10.6875 9.73449 7.55934 15.1951 numMergedOcc 0
73 mol 152 unq 10 iso 0 dist 6.70283 5.87555 5.42328 4.73288 9.00072 7.59457 numMergedOcc 0
74 mol 152 unq 11 iso 0 dist 6.70283 8.67331 6.4896 4.73288 9.00072 7.55419 numMergedOcc 0
75 mol 152 unq 12 iso 0 dist 7.16148 8.87437 5.42328 4.70284 9.00072 7.59457 numMergedOcc 0
76 mol 152 unq 13 iso 0 dist 7.16148 8.05741 6.4896 4.70284 9.00072 7.55419 numMergedOcc 0
77 mol 152 unq 14 iso 0 dist 8.67331 5.87555 5.54906 4.73288 7.55419 7.59457 numMergedOcc 0
78 mol 152 unq 15 iso 0 dist 8.67331 6.70283 6.4896 4.73288 7.55419 9.00072 numMergedOcc 0
79 mol 152 unq 16 iso 0 dist 8.05741 8.87437 5.54906 4.70284 7.55419 7.59457 numMergedOcc 0
80 mol 152 unq 17 iso 0 dist 8.05741 7.16148 6.4896 4.70284 7.55419 9.00072 numMergedOcc 0
81 mol 205 unq 0 iso 0 dist 7.26832 6.03031 7.38516 13.3822 7.13783 13.3708 numMergedOcc 0
82 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 13.3822 7.13783 20.4298 numMergedOcc 0
83 mol 206 unq 0 iso 0 dist 7.7366 9.774 5.63422 7.83734 4.51255 6.23183 numMergedOcc 0
84 mol 206 unq 1 iso 0 dist 9.774 7.7366 5.63422 7.83734 6.23183 4.51255 numMergedOcc 0
85 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 6.19721 7.79063 9.64778 numMergedOcc 0
86 mol 248 unq 1 iso 0 dist 7.69895 8.2965 10.8081 6.19721 7.79063 11.1716 numMergedOcc 0
87 mol 248 unq 2 iso 0 dist 7.21521 7.69895 5.55137 6.19721 9.64778 7.79063 numMergedOcc 0
88 mol 248 unq 3 iso 0 dist 7.21521 8.2965 5.86196 6.19721 9.64778 11.1716 numMergedOcc 0
89 mol 253 unq 0 iso 0 dist 8.31064 6.73034 8.02948 6.0222 9.19385 9.1927 numMergedOcc 0
90 mol 253 unq 1 iso 0 dist 8.31064 6.73034 8.02948 6.93212 7.14243 9.60694 numMergedOcc 0
91 mol 253 unq 2 iso 0 dist 8.31064 6.73034 8.02948 10.2118 5.77511 9.27311 numMergedOcc 0
92 mol 253 unq 3 iso 0 dist 8.31064 6.73034 8.02948 12.4811 7.81382 12.3519 numMergedOcc 0
93 mol 253 unq 4 iso 0 dist 6.73034 8.31064 8.02948 8.57513 8.94786 13.723 numMergedOcc 0
94 mol 253 unq 5 iso 0 dist 6.73034 8.31064 8.02948 6.0222 9.1927 9.19385 numMergedOcc 0
95 mol 253 unq 6 iso 0 dist 6.73034 8.31064 8.02948 6.93212 9.60694 7.14243 numMergedOcc 0
96 mol 253 unq 7 iso 0 dist 6.73034 8.31064 8.02948 10.2118 9.27311 5.77511 numMergedOcc 0
97 mol 261 unq 0 iso 0 dist 8.45658 9.14619 7.00201 11.4108 8.24356 12.3855 numMergedOcc 0
