0 mol 7 unq 0 iso 0 dist 9.60499 6.02702 8.43473 6.55304 6.7985 6.14469 10.6581 9.0379 5.03847 9.68596 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.60499 6.7985 6.55304 8.43473 6.02702 6.14469 11.0773 11.8172 6.34041 8.72114 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.41585 9.68596 14.7759 5.03847 10.3148 6.14469 10.6581 15.8875 6.55304 6.02702 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.41585 9.68596 14.7759 5.03847 10.3148 6.14469 10.5461 12.2041 6.34041 8.72114 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 7.10621 8.72114 13.8829 6.34041 12.9581 6.14469 11.0773 15.4949 8.43473 6.7985 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 7.10621 8.72114 13.8829 6.34041 12.9581 6.14469 10.5461 13.2247 5.03847 9.68596 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 8.57077 9.62394 9.5997 16.147 14.519 7.35972 15.1483 9.76038 8.50424 7.32257 numMergedOcc 0
7 mol 9 unq 1 iso 0 dist 8.57077 9.62394 9.5997 16.147 14.519 7.35972 14.896 11.5235 6.02809 6.55811 numMergedOcc 0
8 mol 9 unq 2 iso 0 dist 8.57077 9.62394 9.5997 16.147 14.519 7.35972 13.3648 12.8474 4.98827 8.64915 numMergedOcc 0
9 mol 9 unq 3 iso 0 dist 8.57077 9.62394 9.5997 19.4709 18.1148 9.93542 14.896 11.5235 6.02809 7.36018 numMergedOcc 0
10 mol 9 unq 4 iso 0 dist 8.57077 9.62394 9.5997 19.4709 18.1148 9.93542 13.3648 12.8474 4.98827 8.17347 numMergedOcc 0
11 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 10.7734 13.8584 7.98326 14.7815 17.503 10.9183 6.35398 numMergedOcc 0
12 mol 15 unq 0 iso 0 dist 8.38064 7.48342 4.39605 4.29582 7.07399 6.03257 9.88835 11.0528 9.75966 5.89412 numMergedOcc 0
13 mol 15 unq 1 iso 0 dist 8.38064 7.07399 4.29582 4.39605 7.48342 6.03257 10.6338 11.7498 10.1154 6.42748 numMergedOcc 0
14 mol 15 unq 2 iso 0 dist 9.97507 7.48342 12.1303 4.29582 11.7302 6.03257 9.88835 16.8845 9.75966 5.89412 numMergedOcc 0
15 mol 15 unq 3 iso 0 dist 9.97507 7.48342 12.1303 4.29582 11.7302 6.03257 8.38064 9.03536 4.39605 7.07399 numMergedOcc 0
16 mol 19 unq 0 iso 0 dist 7.20519 7.75618 4.96411 4.97119 10.741 9.95212 4.54938 7.34551 9.74255 6.41575 numMergedOcc 0
17 mol 19 unq 1 iso 0 dist 7.20519 7.75618 4.96411 4.97119 10.741 9.95212 6.864 7.07775 7.08342 6.41423 numMergedOcc 0
18 mol 19 unq 2 iso 0 dist 8.4674 8.40416 9.74255 4.64838 6.41575 9.95212 4.51865 5.80928 7.08342 6.41423 numMergedOcc 0
19 mol 19 unq 3 iso 0 dist 8.4674 6.41575 4.64838 9.74255 8.40416 9.95212 4.54938 7.67038 4.97119 7.75618 numMergedOcc 0
20 mol 19 unq 4 iso 0 dist 4.54938 7.75618 9.74255 4.97119 6.41575 9.95212 6.864 5.80928 7.08342 6.41423 numMergedOcc 0
21 mol 19 unq 5 iso 0 dist 4.54938 6.41575 4.97119 9.74255 7.75618 9.95212 8.4674 7.67038 4.64838 8.40416 numMergedOcc 0
22 mol 19 unq 6 iso 0 dist 7.82074 6.41575 6.01808 9.74255 12.3215 9.95212 8.4674 10.3915 4.64838 8.40416 numMergedOcc 0
23 mol 19 unq 7 iso 0 dist 7.82074 6.41575 6.01808 9.74255 12.3215 9.95212 4.54938 5.03957 4.97119 7.75618 numMergedOcc 0
24 mol 19 unq 8 iso 0 dist 4.51865 8.40416 7.08342 4.64838 6.41423 9.95212 8.4674 5.80928 9.74255 6.41575 numMergedOcc 0
25 mol 19 unq 9 iso 0 dist 4.51865 6.41423 4.64838 7.08342 8.40416 9.95212 6.864 7.67038 4.97119 7.75618 numMergedOcc 0
26 mol 19 unq 10 iso 0 dist 6.864 7.75618 7.08342 4.97119 6.41423 9.95212 4.54938 5.80928 9.74255 6.41575 numMergedOcc 0
27 mol 19 unq 11 iso 0 dist 6.864 6.41423 4.97119 7.08342 7.75618 9.95212 4.51865 7.67038 4.64838 8.40416 numMergedOcc 0
28 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 6.66749 9.41441 8.00171 11.0194 11.4989 11.9112 6.73939 numMergedOcc 0
29 mol 24 unq 1 iso 0 dist 6.86014 9.01567 8.67951 6.66749 9.41441 4.2121 11.0194 11.4989 4.50066 6.73939 numMergedOcc 0
30 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 11.0194 11.4989 5.11617 6.73939 numMergedOcc 0
31 mol 24 unq 3 iso 0 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 15.5324 15.5315 12.176 8.4051 numMergedOcc 0
32 mol 24 unq 4 iso 0 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 8.86116 10.0952 14.012 8.60554 numMergedOcc 0
33 mol 24 unq 5 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 13.2433 11.4989 5.11617 6.73939 numMergedOcc 0
34 mol 24 unq 6 iso 0 dist 8.86116 9.41441 14.012 4.32034 12.9284 8.00171 6.86014 10.0952 6.66749 7.33768 numMergedOcc 0
35 mol 24 unq 7 iso 0 dist 8.86116 9.41441 14.012 8.67951 13.4393 4.2121 6.86014 10.0952 6.66749 9.01567 numMergedOcc 0
36 mol 24 unq 8 iso 0 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 15.5324 14.6259 12.176 8.4051 numMergedOcc 0
37 mol 24 unq 9 iso 0 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 6.86014 10.0952 6.66749 7.29868 numMergedOcc 0
38 mol 24 unq 10 iso 0 dist 8.38394 8.60554 12.3994 14.012 15.392 6.72323 8.86116 6.44287 8.52463 9.41441 numMergedOcc 0
39 mol 24 unq 11 iso 0 dist 8.38394 8.60554 12.3994 14.012 15.392 6.72323 13.2433 15.4364 5.11617 6.73939 numMergedOcc 0
40 mol 24 unq 12 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 15.5324 11.4989 8.52463 9.41441 numMergedOcc 0
41 mol 24 unq 13 iso 0 dist 5.54419 6.73939 12.176 4.50066 9.83002 4.2121 11.0194 15.5315 6.66749 9.01567 numMergedOcc 0
42 mol 24 unq 14 iso 0 dist 5.54419 6.73939 12.176 11.9112 16.8439 8.00171 11.0194 15.5315 6.66749 7.33768 numMergedOcc 0
43 mol 24 unq 15 iso 0 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 11.0194 15.5315 6.66749 7.29868 numMergedOcc 0
44 mol 24 unq 16 iso 0 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 13.2433 14.6259 14.012 8.60554 numMergedOcc 0
45 mol 24 unq 17 iso 0 dist 7.36323 8.4051 13.2229 12.176 18.673 6.72323 15.5324 19.2131 8.52463 9.41441 numMergedOcc 0
46 mol 24 unq 18 iso 0 dist 7.36323 8.4051 13.2229 12.176 18.673 6.72323 5.54419 12.3067 5.11617 6.73939 numMergedOcc 0
47 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 5.77929 8.87757 6.25843 12.7009 15.5644 9.34396 8.50222 numMergedOcc 0
48 mol 25 unq 1 iso 0 dist 5.04899 7.45383 7.33728 5.77929 8.87757 6.25843 12.8117 16.1048 10.8498 7.55264 numMergedOcc 0
49 mol 25 unq 2 iso 0 dist 5.04899 9.01548 13.9331 5.77929 8.87757 8.88938 12.7009 15.5644 10.5328 8.50222 numMergedOcc 0
50 mol 25 unq 3 iso 0 dist 5.04899 9.01548 13.9331 5.77929 8.87757 8.88938 12.8117 16.1048 10.4337 7.55264 numMergedOcc 0
51 mol 25 unq 4 iso 0 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 11.9561 10.9391 6.08585 6.16347 numMergedOcc 0
52 mol 25 unq 5 iso 0 dist 7.57578 6.16347 9.34396 6.08585 8.50222 6.25843 11.9561 15.5644 7.33728 8.87757 numMergedOcc 0
53 mol 25 unq 6 iso 0 dist 7.57578 6.16347 9.34396 6.08585 8.50222 6.25843 7.17969 4.33106 10.8498 7.55264 numMergedOcc 0
54 mol 25 unq 7 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 12.7009 10.9391 5.77929 7.45383 numMergedOcc 0
55 mol 25 unq 8 iso 0 dist 7.57578 8.50222 6.08585 10.5328 13.8469 8.88938 12.7009 10.9391 5.77929 9.01548 numMergedOcc 0
56 mol 25 unq 9 iso 0 dist 7.17969 6.16347 10.8498 6.08585 7.55264 6.25843 11.9561 16.1048 7.33728 8.87757 numMergedOcc 0
57 mol 25 unq 10 iso 0 dist 7.17969 6.16347 10.8498 6.08585 7.55264 6.25843 7.57578 4.33106 9.34396 8.50222 numMergedOcc 0
58 mol 25 unq 11 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 12.8117 10.9391 5.77929 7.45383 numMergedOcc 0
59 mol 25 unq 12 iso 0 dist 7.17969 7.55264 6.08585 10.4337 13.8469 8.88938 12.8117 10.9391 5.77929 9.01548 numMergedOcc 0
60 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 6.10456 8.40073 9.67482 4.47349 numMergedOcc 0
61 mol 98 unq 1 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 10.1136 10.2427 12.0974 5.65185 numMergedOcc 0
62 mol 98 unq 2 iso 0 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 5.08437 9.51923 4.4057 6.7117 numMergedOcc 0
63 mol 98 unq 3 iso 0 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 6.10456 9.42358 9.67482 4.47349 numMergedOcc 0
64 mol 98 unq 4 iso 0 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 10.1136 13.9786 12.0974 5.65185 numMergedOcc 0
65 mol 98 unq 5 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 5.08437 8.40073 4.4057 6.7117 numMergedOcc 0
66 mol 98 unq 6 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 10.1136 5.02887 12.0974 5.65185 numMergedOcc 0
67 mol 100 unq 0 iso 0 dist 8.87449 7.80975 7.97897 5.42531 10.9242 9.5057 10.1489 8.98304 10.6848 7.01812 numMergedOcc 0
68 mol 100 unq 1 iso 0 dist 8.87449 7.80975 7.97897 5.42531 10.9242 9.5057 13.2001 14.5815 15.3454 8.30845 numMergedOcc 0
69 mol 100 unq 2 iso 0 dist 9.60661 7.01812 5.80144 10.6848 14.8081 9.5057 10.1489 10.8375 5.42531 7.80975 numMergedOcc 0
70 mol 100 unq 3 iso 0 dist 9.60661 7.01812 5.80144 10.6848 14.8081 9.5057 7.17106 11.5403 8.4128 7.10378 numMergedOcc 0
71 mol 100 unq 4 iso 0 dist 7.17106 7.10378 10.6848 8.4128 7.01812 9.5057 10.5134 5.88134 15.3454 8.30845 numMergedOcc 0
72 mol 100 unq 5 iso 0 dist 7.17106 7.01812 8.4128 10.6848 7.10378 9.5057 10.1489 10.8586 5.42531 7.80975 numMergedOcc 0
73 mol 100 unq 6 iso 0 dist 9.35224 7.01812 10.0456 10.6848 15.2289 9.5057 10.1489 15.1999 5.42531 7.80975 numMergedOcc 0
74 mol 100 unq 7 iso 0 dist 9.35224 7.01812 10.0456 10.6848 15.2289 9.5057 7.17106 8.87654 8.4128 7.10378 numMergedOcc 0
75 mol 100 unq 8 iso 0 dist 7.47343 8.30845 12.2861 15.3454 21.075 9.5057 13.2001 16.3949 5.42531 7.80975 numMergedOcc 0
76 mol 100 unq 9 iso 0 dist 7.47343 8.30845 12.2861 15.3454 21.075 9.5057 10.5134 17.5254 8.4128 7.10378 numMergedOcc 0
77 mol 100 unq 10 iso 0 dist 6.65086 8.30845 5.80144 15.3454 14.8081 9.5057 13.2001 10.8375 5.42531 7.80975 numMergedOcc 0
78 mol 100 unq 11 iso 0 dist 6.65086 8.30845 5.80144 15.3454 14.8081 9.5057 10.5134 11.5403 8.4128 7.10378 numMergedOcc 0
79 mol 100 unq 12 iso 0 dist 6.56369 8.30845 10.0456 15.3454 15.2289 9.5057 13.2001 15.1999 5.42531 7.80975 numMergedOcc 0
80 mol 100 unq 13 iso 0 dist 6.56369 8.30845 10.0456 15.3454 15.2289 9.5057 10.5134 8.87654 8.4128 7.10378 numMergedOcc 0
81 mol 100 unq 14 iso 0 dist 9.30209 8.30845 6.70236 15.3454 12.6004 9.5057 13.2001 11.2306 5.42531 7.80975 numMergedOcc 0
82 mol 100 unq 15 iso 0 dist 9.30209 8.30845 6.70236 15.3454 12.6004 9.5057 10.5134 8.7812 8.4128 7.10378 numMergedOcc 0
83 mol 129 unq 0 iso 0 dist 9.61051 6.28565 6.30169 10.7293 16.0242 9.73158 5.83384 9.05135 4.55551 9.36851 numMergedOcc 0
84 mol 129 unq 1 iso 0 dist 9.61051 6.28565 6.30169 7.29399 13.4182 7.59327 5.83384 9.05135 4.55551 4.97175 numMergedOcc 0
85 mol 134 unq 0 iso 0 dist 9.89303 5.83771 7.41674 4.60632 7.69991 6.40575 9.93925 5.00526 9.87376 6.23142 numMergedOcc 0
86 mol 134 unq 1 iso 0 dist 9.89303 5.83771 7.41674 4.60632 7.69991 6.40575 14.423 11.3271 14.9876 9.94764 numMergedOcc 0
87 mol 134 unq 2 iso 0 dist 9.89303 7.69991 4.60632 7.41674 5.83771 6.40575 6.54501 5.79898 5.71679 7.80532 numMergedOcc 0
88 mol 134 unq 3 iso 0 dist 6.54501 7.80532 7.41674 5.71679 7.69991 6.40575 6.49416 5.00526 9.87376 6.23142 numMergedOcc 0
89 mol 134 unq 4 iso 0 dist 6.54501 7.80532 7.41674 5.71679 7.69991 6.40575 12.5075 11.3271 14.9876 9.94764 numMergedOcc 0
90 mol 134 unq 5 iso 0 dist 6.54501 7.69991 5.71679 7.41674 7.80532 6.40575 9.89303 5.79898 4.60632 5.83771 numMergedOcc 0
91 mol 134 unq 6 iso 0 dist 8.94367 6.23142 4.57832 9.87376 10.5252 6.40575 9.93925 6.86927 4.60632 5.83771 numMergedOcc 0
92 mol 134 unq 7 iso 0 dist 8.94367 6.23142 4.57832 9.87376 10.5252 6.40575 6.49416 8.80819 5.71679 7.80532 numMergedOcc 0
93 mol 134 unq 8 iso 0 dist 6.37586 6.23142 5.29786 9.87376 10.7586 6.40575 9.93925 7.11631 4.60632 5.83771 numMergedOcc 0
94 mol 134 unq 9 iso 0 dist 6.37586 6.23142 5.29786 9.87376 10.7586 6.40575 6.49416 5.00817 5.71679 7.80532 numMergedOcc 0
95 mol 134 unq 10 iso 0 dist 6.49416 7.80532 9.87376 5.71679 6.23142 6.40575 6.54501 5.00526 7.41674 7.69991 numMergedOcc 0
96 mol 134 unq 11 iso 0 dist 6.49416 7.80532 9.87376 5.71679 6.23142 6.40575 12.5075 6.81259 14.9876 9.94764 numMergedOcc 0
97 mol 134 unq 12 iso 0 dist 6.49416 6.23142 5.71679 9.87376 7.80532 6.40575 9.93925 5.79898 4.60632 5.83771 numMergedOcc 0
98 mol 134 unq 13 iso 0 dist 9.86662 9.94764 4.57832 14.9876 10.5252 6.40575 14.423 6.86927 4.60632 5.83771 numMergedOcc 0
99 mol 134 unq 14 iso 0 dist 9.86662 9.94764 4.57832 14.9876 10.5252 6.40575 12.5075 8.80819 5.71679 7.80532 numMergedOcc 0
100 mol 134 unq 15 iso 0 dist 9.71307 9.94764 5.29786 14.9876 10.7586 6.40575 14.423 7.11631 4.60632 5.83771 numMergedOcc 0
101 mol 134 unq 16 iso 0 dist 9.71307 9.94764 5.29786 14.9876 10.7586 6.40575 12.5075 5.00817 5.71679 7.80532 numMergedOcc 0
102 mol 156 unq 0 iso 0 dist 8.34702 7.30357 10.4977 5.81563 13.0658 8.21184 11.6719 13.7169 10.8404 9.00416 numMergedOcc 0
103 mol 156 unq 1 iso 0 dist 8.34702 7.30357 10.4977 5.52796 12.7005 5.41575 10.2717 12.5876 6.14767 8.73722 numMergedOcc 0
104 mol 156 unq 2 iso 0 dist 8.34702 8.61587 12.4274 5.81563 13.0658 5.9976 11.6719 13.7169 5.18356 9.00416 numMergedOcc 0
105 mol 156 unq 3 iso 0 dist 8.34702 8.61587 12.4274 5.52796 12.7005 6.86566 10.2717 12.5876 12.212 8.73722 numMergedOcc 0
106 mol 156 unq 4 iso 0 dist 7.44554 9.4013 5.71511 5.4555 9.44367 8.37434 8.94056 5.56175 6.13574 7.90267 numMergedOcc 0
107 mol 156 unq 5 iso 0 dist 7.66148 7.90267 6.03934 6.13574 11.1147 8.37434 8.94056 10.1658 5.4555 9.4013 numMergedOcc 0
108 mol 156 unq 6 iso 0 dist 8.94056 9.4013 6.13574 5.4555 7.90267 8.37434 7.44554 5.56175 5.71511 9.44367 numMergedOcc 0
109 mol 156 unq 7 iso 0 dist 9.83699 9.4013 5.80008 5.4555 10.3379 8.37434 7.44554 8.38403 5.71511 9.44367 numMergedOcc 0
110 mol 156 unq 8 iso 0 dist 9.83699 9.4013 5.80008 5.4555 10.3379 8.37434 8.94056 11.2719 6.13574 7.90267 numMergedOcc 0
111 mol 156 unq 9 iso 0 dist 9.06726 7.30357 12.3086 5.81563 11.5017 8.21184 11.6719 9.93262 10.8404 9.00416 numMergedOcc 0
112 mol 156 unq 10 iso 0 dist 9.06726 7.30357 12.3086 5.52796 13.258 5.41575 10.2717 16.573 6.14767 8.73722 numMergedOcc 0
113 mol 156 unq 11 iso 0 dist 9.06726 8.61587 10.9151 5.81563 11.5017 5.9976 11.6719 9.93262 5.18356 9.00416 numMergedOcc 0
114 mol 156 unq 12 iso 0 dist 9.06726 8.61587 10.9151 5.52796 13.258 6.86566 10.2717 16.573 12.212 8.73722 numMergedOcc 0
115 mol 156 unq 13 iso 0 dist 8.33171 7.30357 7.79535 5.81563 10.0063 8.21184 11.6719 7.53284 10.8404 9.00416 numMergedOcc 0
116 mol 156 unq 14 iso 0 dist 8.33171 7.30357 7.79535 5.52796 10.5287 5.41575 10.2717 12.6998 6.14767 8.73722 numMergedOcc 0
117 mol 156 unq 15 iso 0 dist 8.33171 8.61587 6.98125 5.81563 10.0063 5.9976 11.6719 7.53284 5.18356 9.00416 numMergedOcc 0
118 mol 156 unq 16 iso 0 dist 8.33171 8.61587 6.98125 5.52796 10.5287 6.86566 10.2717 12.6998 12.212 8.73722 numMergedOcc 0
119 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 4.43096 12.4878 7.32087 8.03334 13.2049 7.81713 6.46704 numMergedOcc 0
120 mol 181 unq 1 iso 0 dist 9.1374 6.2479 6.6251 8.04639 10.6908 8.86197 8.03334 13.2049 7.81713 6.59025 numMergedOcc 0
121 mol 181 unq 2 iso 0 dist 8.03334 6.46704 4.43096 7.81713 6.2479 7.32087 10.9639 6.01247 6.06566 6.22122 numMergedOcc 0
122 mol 181 unq 3 iso 0 dist 8.03334 6.46704 4.43096 7.81713 6.2479 7.32087 10.7062 8.88798 12.2164 7.99195 numMergedOcc 0
123 mol 181 unq 4 iso 0 dist 8.03334 6.59025 8.04639 7.81713 6.2479 8.86197 10.9639 6.01247 13.0409 6.22122 numMergedOcc 0
124 mol 181 unq 5 iso 0 dist 8.03334 6.59025 8.04639 7.81713 6.2479 8.86197 10.7062 8.88798 5.77299 7.99195 numMergedOcc 0
125 mol 181 unq 6 iso 0 dist 5.98885 9.72611 5.6044 12.7358 11.602 7.22883 15.333 11.9017 6.29863 5.9176 numMergedOcc 0
126 mol 181 unq 7 iso 0 dist 5.98885 7.99195 6.6251 12.2164 12.4878 7.32087 10.7062 13.2049 7.81713 6.46704 numMergedOcc 0
127 mol 181 unq 8 iso 0 dist 5.98885 7.99195 6.6251 5.77299 10.6908 8.86197 10.7062 13.2049 7.81713 6.59025 numMergedOcc 0
128 mol 181 unq 9 iso 0 dist 9.09537 9.72611 12.9468 12.7358 14.8662 7.22883 15.333 17.8118 6.29863 5.9176 numMergedOcc 0
129 mol 181 unq 10 iso 0 dist 9.09537 7.99195 10.09 12.2164 16.4314 7.32087 10.7062 12.8522 7.81713 6.46704 numMergedOcc 0
130 mol 181 unq 11 iso 0 dist 9.09537 7.99195 10.09 5.77299 11.3325 8.86197 10.7062 12.8522 7.81713 6.59025 numMergedOcc 0
131 mol 181 unq 12 iso 0 dist 7.63312 5.9176 5.63555 6.29863 11.9764 7.22883 15.333 18.3341 12.7358 9.72611 numMergedOcc 0
132 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 4.9377 9.40808 9.8664 10.5803 6.56633 12.3508 8.50102 numMergedOcc 0
133 mol 273 unq 0 iso 0 dist 9.01049 8.49177 9.25493 4.60101 11.6152 7.16346 13.3579 19.565 12.0136 8.83865 numMergedOcc 0
134 mol 273 unq 1 iso 0 dist 9.01049 8.49177 9.25493 4.60101 11.6152 7.16346 13.4294 18.0621 12.1851 9.18157 numMergedOcc 0
135 mol 274 unq 0 iso 0 dist 7.56915 9.85289 6.20558 5.29529 8.52587 6.88827 11.3168 11.3308 6.16703 6.39866 numMergedOcc 0
136 mol 274 unq 1 iso 0 dist 8.49997 9.85289 11.4459 5.29529 11.6126 6.88827 7.56915 6.33073 6.20558 8.52587 numMergedOcc 0
137 mol 274 unq 2 iso 0 dist 8.49997 9.85289 11.4459 5.29529 11.6126 6.88827 11.3168 14.9562 6.16703 6.39866 numMergedOcc 0
