0 mol 93 unq 0 iso 0 dist 5.89661 8.38283 9.81831 6.13065 9.12858 6.30447 10.5249 7.8435 16.1023 12.4934 numMergedOcc 0
1 mol 93 unq 0 iso 1 dist 5.89661 6.13065 9.12858 8.38283 9.81831 6.30447 10.5249 7.8435 12.4934 16.1023 numMergedOcc 0
2 mol 93 unq 1 iso 0 dist 5.89661 8.38283 9.81831 6.13065 9.12858 6.30447 10.3971 5.99269 13.1721 11.0537 numMergedOcc 0
3 mol 93 unq 1 iso 1 dist 5.89661 6.13065 9.12858 8.38283 9.81831 6.30447 10.3971 5.99269 11.0537 13.1721 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 5.89661 8.38283 9.81831 6.13065 9.12858 6.30447 8.75661 5.71763 9.34182 12.0103 numMergedOcc 0
5 mol 93 unq 2 iso 1 dist 5.89661 6.13065 9.12858 8.38283 9.81831 6.30447 8.75661 5.71763 12.0103 9.34182 numMergedOcc 0
6 mol 93 unq 3 iso 0 dist 5.89661 8.38283 9.81831 11.0971 9.4523 9.91939 10.5249 7.8435 16.1023 10.8106 numMergedOcc 0
7 mol 93 unq 3 iso 1 dist 5.89661 11.0971 9.4523 8.38283 9.81831 9.91939 10.5249 7.8435 10.8106 16.1023 numMergedOcc 0
8 mol 93 unq 4 iso 0 dist 5.89661 8.38283 9.81831 11.0971 9.4523 9.91939 10.3971 5.99269 13.1721 7.14217 numMergedOcc 0
9 mol 93 unq 4 iso 1 dist 5.89661 11.0971 9.4523 8.38283 9.81831 9.91939 10.3971 5.99269 7.14217 13.1721 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 5.89661 8.38283 9.81831 11.0971 9.4523 9.91939 8.75661 5.71763 9.34182 12.9351 numMergedOcc 0
11 mol 93 unq 5 iso 1 dist 5.89661 11.0971 9.4523 8.38283 9.81831 9.91939 8.75661 5.71763 12.9351 9.34182 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 5.89661 6.13065 9.12858 11.0971 9.4523 7.66728 10.5249 7.8435 12.4934 10.8106 numMergedOcc 0
13 mol 93 unq 3 iso 1 dist 5.89661 11.0971 9.4523 6.13065 9.12858 7.66728 10.5249 7.8435 10.8106 12.4934 numMergedOcc 0
14 mol 93 unq 4 iso 0 dist 5.89661 6.13065 9.12858 11.0971 9.4523 7.66728 10.3971 5.99269 11.0537 7.14217 numMergedOcc 0
15 mol 93 unq 4 iso 1 dist 5.89661 11.0971 9.4523 6.13065 9.12858 7.66728 10.3971 5.99269 7.14217 11.0537 numMergedOcc 0
16 mol 93 unq 5 iso 0 dist 5.89661 6.13065 9.12858 11.0971 9.4523 7.66728 8.75661 5.71763 12.0103 12.9351 numMergedOcc 0
17 mol 93 unq 5 iso 1 dist 5.89661 11.0971 9.4523 6.13065 9.12858 7.66728 8.75661 5.71763 12.9351 12.0103 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 9.95533 5.65454 5.49226 10.1056 6.28351 7.15222 15.6865 9.43989 12.068 5.59468 numMergedOcc 0
19 mol 147 unq 0 iso 1 dist 9.95533 10.1056 6.28351 5.65454 5.49226 7.15222 15.6865 9.43989 5.59468 12.068 numMergedOcc 0
20 mol 147 unq 1 iso 0 dist 7.94147 10.4411 5.49226 6.11262 6.28351 7.15222 8.57724 9.43989 12.068 5.59468 numMergedOcc 0
21 mol 147 unq 1 iso 1 dist 7.94147 6.11262 6.28351 10.4411 5.49226 7.15222 8.57724 9.43989 5.59468 12.068 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 6.27462 11.7578 7.71426 5.45834 5.10618 7.31409 14.6076 9.13027 11.8244 13.9189 numMergedOcc 0
23 mol 171 unq 0 iso 1 dist 6.27462 5.45834 5.10618 11.7578 7.71426 7.31409 14.6076 9.13027 13.9189 11.8244 numMergedOcc 0
24 mol 171 unq 1 iso 0 dist 6.27462 11.7578 7.71426 11.9898 9.86681 13.6814 14.6076 9.13027 11.8244 8.25926 numMergedOcc 0
25 mol 171 unq 1 iso 1 dist 6.27462 11.9898 9.86681 11.7578 7.71426 13.6814 14.6076 9.13027 8.25926 11.8244 numMergedOcc 0
26 mol 171 unq 1 iso 0 dist 6.27462 5.45834 5.10618 11.9898 9.86681 13.7214 14.6076 9.13027 13.9189 8.25926 numMergedOcc 0
27 mol 171 unq 1 iso 1 dist 6.27462 11.9898 9.86681 5.45834 5.10618 13.7214 14.6076 9.13027 8.25926 13.9189 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 5.31166 5.95114 9.56197 5.93294 7.24795 9.41955 6.3473 8.57801 6.89047 3.90244 numMergedOcc 0
29 mol 186 unq 0 iso 1 dist 5.31166 5.93294 7.24795 5.95114 9.56197 9.41955 6.3473 8.57801 3.90244 6.89047 numMergedOcc 0
30 mol 186 unq 1 iso 0 dist 5.31166 5.95114 9.56197 8.88219 8.64409 8.04815 6.3473 8.57801 6.89047 12.6058 numMergedOcc 0
31 mol 186 unq 1 iso 1 dist 5.31166 8.88219 8.64409 5.95114 9.56197 8.04815 6.3473 8.57801 12.6058 6.89047 numMergedOcc 0
32 mol 186 unq 2 iso 0 dist 5.31166 5.95114 9.56197 7.74823 7.60202 5.92513 6.3473 8.57801 6.89047 7.21555 numMergedOcc 0
33 mol 186 unq 2 iso 1 dist 5.31166 7.74823 7.60202 5.95114 9.56197 5.92513 6.3473 8.57801 7.21555 6.89047 numMergedOcc 0
34 mol 186 unq 1 iso 0 dist 5.31166 5.93294 7.24795 8.88219 8.64409 13.684 6.3473 8.57801 3.90244 12.6058 numMergedOcc 0
35 mol 186 unq 1 iso 1 dist 5.31166 8.88219 8.64409 5.93294 7.24795 13.684 6.3473 8.57801 12.6058 3.90244 numMergedOcc 0
36 mol 186 unq 2 iso 0 dist 5.31166 5.93294 7.24795 7.74823 7.60202 9.45987 6.3473 8.57801 3.90244 7.21555 numMergedOcc 0
37 mol 186 unq 2 iso 1 dist 5.31166 7.74823 7.60202 5.93294 7.24795 9.45987 6.3473 8.57801 7.21555 3.90244 numMergedOcc 0
38 mol 186 unq 2 iso 0 dist 5.31166 8.88219 8.64409 7.74823 7.60202 7.18269 6.3473 8.57801 12.6058 7.21555 numMergedOcc 0
39 mol 186 unq 2 iso 1 dist 5.31166 7.74823 7.60202 8.88219 8.64409 7.18269 6.3473 8.57801 7.21555 12.6058 numMergedOcc 0
40 mol 212 unq 0 iso 0 dist 7.90906 10.3349 8.57827 9.83647 6.29767 4.12932 11.9025 5.50658 6.47488 3.9436 numMergedOcc 0
41 mol 212 unq 0 iso 1 dist 7.90906 9.83647 6.29767 10.3349 8.57827 4.12932 11.9025 5.50658 3.9436 6.47488 numMergedOcc 0
42 mol 222 unq 0 iso 0 dist 7.11989 6.3985 9.2581 11.068 9.62632 9.57159 11.0888 7.97027 9.01393 13.3586 numMergedOcc 0
43 mol 222 unq 0 iso 1 dist 7.11989 11.068 9.62632 6.3985 9.2581 9.57159 11.0888 7.97027 13.3586 9.01393 numMergedOcc 0
44 mol 222 unq 1 iso 0 dist 7.11989 6.3985 9.2581 11.068 9.62632 9.57159 5.93092 6.81955 6.25425 5.16212 numMergedOcc 0
45 mol 222 unq 1 iso 1 dist 7.11989 11.068 9.62632 6.3985 9.2581 9.57159 5.93092 6.81955 5.16212 6.25425 numMergedOcc 0
46 mol 222 unq 2 iso 0 dist 7.11989 6.3985 9.2581 11.068 9.62632 9.57159 6.80198 4.9876 5.64455 5.9478 numMergedOcc 0
47 mol 222 unq 2 iso 1 dist 7.11989 11.068 9.62632 6.3985 9.2581 9.57159 6.80198 4.9876 5.9478 5.64455 numMergedOcc 0
48 mol 222 unq 3 iso 0 dist 7.11989 6.3985 9.2581 12.6853 7.862 10.5806 11.0888 7.97027 9.01393 8.84507 numMergedOcc 0
49 mol 222 unq 3 iso 1 dist 7.11989 12.6853 7.862 6.3985 9.2581 10.5806 11.0888 7.97027 8.84507 9.01393 numMergedOcc 0
50 mol 222 unq 4 iso 0 dist 7.11989 6.3985 9.2581 12.6853 7.862 10.5806 5.93092 6.81955 6.25425 8.67203 numMergedOcc 0
51 mol 222 unq 4 iso 1 dist 7.11989 12.6853 7.862 6.3985 9.2581 10.5806 5.93092 6.81955 8.67203 6.25425 numMergedOcc 0
52 mol 222 unq 5 iso 0 dist 7.11989 6.3985 9.2581 12.6853 7.862 10.5806 6.80198 4.9876 5.64455 6.02502 numMergedOcc 0
53 mol 222 unq 5 iso 1 dist 7.11989 12.6853 7.862 6.3985 9.2581 10.5806 6.80198 4.9876 6.02502 5.64455 numMergedOcc 0
54 mol 222 unq 3 iso 0 dist 7.11989 11.068 9.62632 12.6853 7.862 6.9154 11.0888 7.97027 13.3586 8.84507 numMergedOcc 0
55 mol 222 unq 3 iso 1 dist 7.11989 12.6853 7.862 11.068 9.62632 6.9154 11.0888 7.97027 8.84507 13.3586 numMergedOcc 0
56 mol 222 unq 4 iso 0 dist 7.11989 11.068 9.62632 12.6853 7.862 6.9154 5.93092 6.81955 5.16212 8.67203 numMergedOcc 0
57 mol 222 unq 4 iso 1 dist 7.11989 12.6853 7.862 11.068 9.62632 6.9154 5.93092 6.81955 8.67203 5.16212 numMergedOcc 0
58 mol 222 unq 5 iso 0 dist 7.11989 11.068 9.62632 12.6853 7.862 6.9154 6.80198 4.9876 5.9478 6.02502 numMergedOcc 0
59 mol 222 unq 5 iso 1 dist 7.11989 12.6853 7.862 11.068 9.62632 6.9154 6.80198 4.9876 6.02502 5.9478 numMergedOcc 0
60 mol 252 unq 0 iso 0 dist 6.97105 7.59919 8.47784 10.251 8.66469 13.2361 4.3968 8.19529 6.62402 8.71281 numMergedOcc 0
61 mol 252 unq 0 iso 1 dist 6.97105 10.251 8.66469 7.59919 8.47784 13.2361 4.3968 8.19529 8.71281 6.62402 numMergedOcc 0
62 mol 252 unq 1 iso 0 dist 6.97105 7.59919 8.47784 10.251 8.66469 13.2361 5.75377 6.45396 10.2463 4.54582 numMergedOcc 0
63 mol 252 unq 1 iso 1 dist 6.97105 10.251 8.66469 7.59919 8.47784 13.2361 5.75377 6.45396 4.54582 10.2463 numMergedOcc 0
64 mol 264 unq 0 iso 0 dist 9.54836 6.46871 7.52281 6.62911 6.42588 8.96144 8.52745 6.02757 5.71153 6.56539 numMergedOcc 0
65 mol 264 unq 0 iso 1 dist 9.54836 6.62911 6.42588 6.46871 7.52281 8.96144 8.52745 6.02757 6.56539 5.71153 numMergedOcc 0
66 mol 264 unq 1 iso 0 dist 9.54836 6.46871 7.52281 6.62911 6.42588 8.96144 4.96942 8.67231 6.87635 4.76241 numMergedOcc 0
67 mol 264 unq 1 iso 1 dist 9.54836 6.62911 6.42588 6.46871 7.52281 8.96144 4.96942 8.67231 4.76241 6.87635 numMergedOcc 0
68 mol 276 unq 0 iso 0 dist 9.55021 14.1702 6.70215 11.8927 7.25423 5.41205 15.5685 7.49391 4.51728 5.45206 numMergedOcc 0
69 mol 276 unq 0 iso 1 dist 9.55021 11.8927 7.25423 14.1702 6.70215 5.41205 15.5685 7.49391 5.45206 4.51728 numMergedOcc 0
70 mol 276 unq 1 iso 0 dist 9.55021 14.1702 6.70215 9.3062 7.88706 10.6102 15.5685 7.49391 4.51728 9.33434 numMergedOcc 0
71 mol 276 unq 1 iso 1 dist 9.55021 9.3062 7.88706 14.1702 6.70215 10.6102 15.5685 7.49391 9.33434 4.51728 numMergedOcc 0
72 mol 276 unq 2 iso 0 dist 9.55021 14.1702 6.70215 9.23255 7.23916 8.62129 15.5685 7.49391 4.51728 12.2368 numMergedOcc 0
73 mol 276 unq 2 iso 1 dist 9.55021 9.23255 7.23916 14.1702 6.70215 8.62129 15.5685 7.49391 12.2368 4.51728 numMergedOcc 0
74 mol 276 unq 1 iso 0 dist 9.55021 11.8927 7.25423 9.3062 7.88706 6.19843 15.5685 7.49391 5.45206 9.33434 numMergedOcc 0
75 mol 276 unq 1 iso 1 dist 9.55021 9.3062 7.88706 11.8927 7.25423 6.19843 15.5685 7.49391 9.33434 5.45206 numMergedOcc 0
76 mol 276 unq 2 iso 0 dist 9.55021 11.8927 7.25423 9.23255 7.23916 10.1636 15.5685 7.49391 5.45206 12.2368 numMergedOcc 0
77 mol 276 unq 2 iso 1 dist 9.55021 9.23255 7.23916 11.8927 7.25423 10.1636 15.5685 7.49391 12.2368 5.45206 numMergedOcc 0
78 mol 276 unq 2 iso 0 dist 9.55021 9.3062 7.88706 9.23255 7.23916 12.4616 15.5685 7.49391 9.33434 12.2368 numMergedOcc 0
79 mol 276 unq 2 iso 1 dist 9.55021 9.23255 7.23916 9.3062 7.88706 12.4616 15.5685 7.49391 12.2368 9.33434 numMergedOcc 0
80 mol 279 unq 0 iso 0 dist 7.84195 11.4893 8.29305 12.9462 6.43341 6.67478 5.03747 5.8304 6.5644 9.40912 numMergedOcc 0
81 mol 279 unq 0 iso 1 dist 7.84195 12.9462 6.43341 11.4893 8.29305 6.67478 5.03747 5.8304 9.40912 6.5644 numMergedOcc 0
82 mol 279 unq 1 iso 0 dist 7.84195 11.4893 8.29305 12.9462 6.43341 6.67478 14.9354 7.37478 8.70069 4.14939 numMergedOcc 0
83 mol 279 unq 1 iso 1 dist 7.84195 12.9462 6.43341 11.4893 8.29305 6.67478 14.9354 7.37478 4.14939 8.70069 numMergedOcc 0
84 mol 279 unq 2 iso 0 dist 9.2174 4.98462 8.29305 7.30763 6.43341 6.67478 9.59972 5.8304 6.5644 9.40912 numMergedOcc 0
85 mol 279 unq 2 iso 1 dist 9.2174 7.30763 6.43341 4.98462 8.29305 6.67478 9.59972 5.8304 9.40912 6.5644 numMergedOcc 0
86 mol 279 unq 3 iso 0 dist 9.2174 4.98462 8.29305 7.30763 6.43341 6.67478 6.63427 7.37478 8.70069 4.14939 numMergedOcc 0
87 mol 279 unq 3 iso 1 dist 9.2174 7.30763 6.43341 4.98462 8.29305 6.67478 6.63427 7.37478 4.14939 8.70069 numMergedOcc 0
