0 mol 58 unq 0 iso 0 dist 6.81627 7.4785 4.25144 5.47421 7.32874 6.39747 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 7.32874 6.39747 4.25144 5.47421 6.81627 7.4785 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 6.86465 9.23438 4.59417 5.35073 6.35756 7.17488 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 6.86465 9.23438 4.59417 10.8153 10.3224 6.79356 numMergedOcc 0
4 mol 58 unq 4 iso 0 dist 6.35756 7.17488 4.59417 5.35073 6.86465 9.23438 numMergedOcc 0
5 mol 58 unq 5 iso 0 dist 6.35756 7.17488 4.59417 8.62958 10.3224 6.79356 numMergedOcc 0
6 mol 58 unq 6 iso 0 dist 6.64012 6.79356 5.87468 10.8153 13.497 9.23438 numMergedOcc 0
7 mol 58 unq 7 iso 0 dist 6.64012 6.79356 5.87468 8.62958 12.1902 7.17488 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 8.8178 4.86198 5.21565 5.36766 12.8385 8.26541 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 8.8178 4.86198 5.21565 8.24309 9.84449 6.62699 numMergedOcc 0
10 mol 72 unq 2 iso 0 dist 8.8178 4.86198 5.21565 10.1538 13.4854 8.98867 numMergedOcc 0
11 mol 72 unq 3 iso 0 dist 9.96708 4.86198 10.7434 5.36766 10.8086 8.26541 numMergedOcc 0
12 mol 72 unq 4 iso 0 dist 9.96708 4.86198 10.7434 8.24309 9.78528 6.62699 numMergedOcc 0
13 mol 72 unq 5 iso 0 dist 9.96708 4.86198 10.7434 10.1538 15.1902 8.98867 numMergedOcc 0
14 mol 72 unq 6 iso 0 dist 9.78528 6.62699 10.7434 7.04035 10.8086 8.26541 numMergedOcc 0
15 mol 72 unq 7 iso 0 dist 9.78528 6.62699 10.7434 8.24309 9.96708 4.86198 numMergedOcc 0
16 mol 72 unq 8 iso 0 dist 9.78528 6.62699 10.7434 5.8486 15.1902 8.98867 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 9.38498 6.23522 4.73407 11.8291 13.1662 9.10566 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 9.38498 6.23522 4.73407 5.75196 10.2282 9.62027 numMergedOcc 0
19 mol 73 unq 2 iso 0 dist 5.93252 9.10566 3.85805 11.8291 8.9232 6.23522 numMergedOcc 0
20 mol 73 unq 3 iso 0 dist 5.93252 9.10566 3.85805 16.8676 13.2207 9.62027 numMergedOcc 0
21 mol 73 unq 4 iso 0 dist 8.70481 7.37171 15.1432 8.07446 16.0098 8.62079 numMergedOcc 0
22 mol 88 unq 0 iso 0 dist 9.36773 6.65615 4.47193 5.57085 8.31336 5.07548 numMergedOcc 0
23 mol 88 unq 1 iso 0 dist 8.31336 5.07548 4.47193 5.57085 9.36773 6.65615 numMergedOcc 0
24 mol 95 unq 0 iso 0 dist 9.03572 7.51733 4.73066 6.59319 8.83255 9.01607 numMergedOcc 0
25 mol 95 unq 1 iso 0 dist 8.83255 9.01607 4.73066 6.59319 9.03572 7.51733 numMergedOcc 0
26 mol 127 unq 0 iso 0 dist 8.14887 5.39356 10.2024 5.55757 12.8743 5.01504 numMergedOcc 0
27 mol 127 unq 1 iso 0 dist 8.14887 5.39356 10.2024 6.16471 11.3474 6.80627 numMergedOcc 0
28 mol 127 unq 2 iso 0 dist 9.30299 5.39356 12.7606 5.55757 14.7391 5.01504 numMergedOcc 0
29 mol 127 unq 3 iso 0 dist 9.30299 5.39356 12.7606 6.16471 14.9565 6.80627 numMergedOcc 0
30 mol 129 unq 0 iso 0 dist 8.54584 7.97548 12.5321 4.61027 8.53613 9.9291 numMergedOcc 0
31 mol 129 unq 1 iso 0 dist 8.54584 7.97548 12.5321 10.5871 17.1395 7.32151 numMergedOcc 0
32 mol 129 unq 2 iso 0 dist 8.53613 9.9291 12.5321 4.61027 8.54584 7.97548 numMergedOcc 0
33 mol 129 unq 3 iso 0 dist 8.53613 9.9291 12.5321 10.678 17.1395 7.32151 numMergedOcc 0
34 mol 130 unq 0 iso 0 dist 9.28393 5.92733 6.00473 8.38345 14.387 8.81797 numMergedOcc 0
35 mol 130 unq 1 iso 0 dist 9.28393 5.92733 6.00473 10.0969 14.2551 9.81269 numMergedOcc 0
36 mol 142 unq 0 iso 0 dist 9.2313 8.04118 4.05822 5.50998 7.73169 8.39035 numMergedOcc 0
37 mol 142 unq 1 iso 0 dist 5.31024 8.04118 4.7832 5.50998 7.26382 8.39035 numMergedOcc 0
38 mol 142 unq 2 iso 0 dist 7.73169 8.39035 4.05822 5.50998 9.2313 8.04118 numMergedOcc 0
39 mol 142 unq 3 iso 0 dist 7.26382 8.39035 4.7832 5.50998 5.31024 8.04118 numMergedOcc 0
40 mol 152 unq 0 iso 0 dist 5.87555 7.59457 4.73288 5.42328 6.70283 9.00072 numMergedOcc 0
41 mol 152 unq 1 iso 0 dist 5.87555 7.59457 4.73288 5.54906 8.67331 7.55419 numMergedOcc 0
42 mol 152 unq 2 iso 0 dist 8.87437 7.59457 4.70284 5.42328 7.16148 9.00072 numMergedOcc 0
43 mol 152 unq 3 iso 0 dist 8.87437 7.59457 4.70284 5.54906 8.05741 7.55419 numMergedOcc 0
44 mol 152 unq 4 iso 0 dist 8.56324 9.00072 12.2243 5.42328 10.399 7.59457 numMergedOcc 0
45 mol 152 unq 5 iso 0 dist 8.56324 9.00072 12.2243 6.4896 14.1618 7.55419 numMergedOcc 0
46 mol 152 unq 6 iso 0 dist 6.70283 9.00072 4.73288 5.42328 5.87555 7.59457 numMergedOcc 0
47 mol 152 unq 7 iso 0 dist 6.70283 9.00072 4.73288 6.4896 8.67331 7.55419 numMergedOcc 0
48 mol 152 unq 8 iso 0 dist 7.16148 9.00072 4.70284 5.42328 8.87437 7.59457 numMergedOcc 0
49 mol 152 unq 9 iso 0 dist 7.16148 9.00072 4.70284 6.4896 8.05741 7.55419 numMergedOcc 0
50 mol 152 unq 10 iso 0 dist 8.67331 7.55419 4.73288 5.54906 5.87555 7.59457 numMergedOcc 0
51 mol 152 unq 11 iso 0 dist 8.67331 7.55419 4.73288 6.4896 6.70283 9.00072 numMergedOcc 0
52 mol 152 unq 12 iso 0 dist 8.05741 7.55419 4.70284 5.54906 8.87437 7.59457 numMergedOcc 0
53 mol 152 unq 13 iso 0 dist 8.05741 7.55419 4.70284 6.4896 7.16148 9.00072 numMergedOcc 0
54 mol 206 unq 0 iso 0 dist 8.02137 6.23183 8.20841 5.63422 11.1804 4.51255 numMergedOcc 0
55 mol 206 unq 1 iso 0 dist 7.7366 4.51255 7.83734 5.63422 9.774 6.23183 numMergedOcc 0
56 mol 206 unq 2 iso 0 dist 9.774 6.23183 7.83734 5.63422 7.7366 4.51255 numMergedOcc 0
57 mol 248 unq 0 iso 0 dist 7.69895 7.79063 6.19721 5.55137 7.21521 9.64778 numMergedOcc 0
58 mol 248 unq 1 iso 0 dist 7.21521 9.64778 6.19721 5.55137 7.69895 7.79063 numMergedOcc 0
59 mol 253 unq 0 iso 0 dist 7.32223 9.19385 5.85692 8.02948 11.6434 9.1927 numMergedOcc 0
60 mol 253 unq 1 iso 0 dist 7.32223 7.14243 9.00842 8.02948 11.6434 9.60694 numMergedOcc 0
61 mol 253 unq 2 iso 0 dist 7.32223 5.77511 11.5574 8.02948 11.6434 9.27311 numMergedOcc 0
62 mol 253 unq 3 iso 0 dist 8.31064 9.19385 6.0222 8.02948 6.73034 9.1927 numMergedOcc 0
63 mol 253 unq 4 iso 0 dist 8.31064 7.14243 6.93212 8.02948 6.73034 9.60694 numMergedOcc 0
64 mol 253 unq 5 iso 0 dist 8.31064 5.77511 10.2118 8.02948 6.73034 9.27311 numMergedOcc 0
65 mol 253 unq 6 iso 0 dist 6.73034 9.1927 6.0222 8.02948 8.31064 9.19385 numMergedOcc 0
66 mol 253 unq 7 iso 0 dist 6.73034 9.60694 6.93212 8.02948 8.31064 7.14243 numMergedOcc 0
67 mol 253 unq 8 iso 0 dist 6.73034 9.27311 10.2118 8.02948 8.31064 5.77511 numMergedOcc 0
68 mol 258 unq 0 iso 0 dist 6.97229 5.4557 4.02333 5.55477 9.82663 6.76495 numMergedOcc 0
69 mol 277 unq 0 iso 0 dist 9.7748 4.9764 11.8607 7.08227 16.3537 7.42932 numMergedOcc 0
70 mol 277 unq 1 iso 0 dist 9.7748 5.69112 7.75371 5.59609 12.5685 9.54359 numMergedOcc 0
