0 mol 0 unq 0 iso 0 dist 9.6994 7.15528 7.19817 9.23213 5.08793 10.4498 7.40865 9.11323 9.46298 9.30151 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.15528 9.6994 7.19817 9.23213 10.4498 5.08793 7.40865 9.46298 9.11323 9.30151 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 9.6994 7.15528 7.19817 8.81979 5.63197 5.52201 7.40865 9.11323 9.46298 6.11501 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 7.15528 9.6994 7.19817 8.81979 5.52201 5.63197 7.40865 9.46298 9.11323 6.11501 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 8.78293 5.31524 10.9543 7.75618 4.96411 9.74255 6.2337 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 7.75618 9.74255 4.96411 6.2337 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 7.20519 4.54938 7.34551 8.23643 11.0832 6.55187 7.75618 4.96411 9.74255 14.4867 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 7.75618 9.74255 4.96411 14.4867 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 7.75618 4.96411 9.74255 11.4087 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 7.75618 9.74255 4.96411 11.4087 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 7.20519 6.864 7.07775 8.78293 5.31524 11.4401 7.75618 4.96411 7.08342 6.2337 numMergedOcc 0
11 mol 19 unq 3 iso 1 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 7.75618 7.08342 4.96411 6.2337 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 7.20519 6.864 7.07775 8.23643 11.0832 12.3093 7.75618 4.96411 7.08342 14.4867 numMergedOcc 0
13 mol 19 unq 4 iso 1 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 7.75618 7.08342 4.96411 14.4867 numMergedOcc 0
14 mol 19 unq 5 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 7.75618 4.96411 7.08342 11.4087 numMergedOcc 0
15 mol 19 unq 5 iso 1 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 7.75618 7.08342 4.96411 11.4087 numMergedOcc 0
16 mol 19 unq 6 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 8.40416 9.74255 7.08342 11.4087 numMergedOcc 0
17 mol 19 unq 6 iso 1 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 8.40416 7.08342 9.74255 11.4087 numMergedOcc 0
18 mol 19 unq 3 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 7.75618 9.74255 7.08342 6.2337 numMergedOcc 0
19 mol 19 unq 3 iso 1 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 7.75618 7.08342 9.74255 6.2337 numMergedOcc 0
20 mol 19 unq 4 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 7.75618 9.74255 7.08342 14.4867 numMergedOcc 0
21 mol 19 unq 4 iso 1 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 7.75618 7.08342 9.74255 14.4867 numMergedOcc 0
22 mol 19 unq 5 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 7.75618 9.74255 7.08342 11.4087 numMergedOcc 0
23 mol 19 unq 5 iso 1 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 7.75618 7.08342 9.74255 11.4087 numMergedOcc 0
24 mol 19 unq 7 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 6.41423 4.64838 4.97119 5.90856 numMergedOcc 0
25 mol 19 unq 7 iso 1 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 6.41423 4.97119 4.64838 5.90856 numMergedOcc 0
26 mol 25 unq 0 iso 0 dist 7.31767 6.03987 4.51512 7.685 8.43188 10.3635 8.6653 5.64303 5.82503 12.9735 numMergedOcc 0
27 mol 25 unq 0 iso 1 dist 6.03987 7.31767 4.51512 7.685 10.3635 8.43188 8.6653 5.82503 5.64303 12.9735 numMergedOcc 0
28 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 9.83618 10.4442 9.49077 8.95682 6.18002 8.38399 4.54282 numMergedOcc 0
29 mol 43 unq 0 iso 1 dist 6.20293 8.80331 8.13395 9.83618 9.49077 10.4442 8.95682 8.38399 6.18002 4.54282 numMergedOcc 0
30 mol 52 unq 0 iso 0 dist 9.80098 7.34143 9.162 7.18176 5.93337 4.5482 6.31696 11.6682 6.66056 6.29814 numMergedOcc 0
31 mol 52 unq 0 iso 1 dist 7.34143 9.80098 9.162 7.18176 4.5482 5.93337 6.31696 6.66056 11.6682 6.29814 numMergedOcc 0
32 mol 54 unq 0 iso 0 dist 9.5589 6.83299 5.08001 5.02241 6.91765 5.06052 7.21717 15.293 13.86 11.0681 numMergedOcc 0
33 mol 54 unq 0 iso 1 dist 6.83299 9.5589 5.08001 5.02241 5.06052 6.91765 7.21717 13.86 15.293 11.0681 numMergedOcc 0
34 mol 54 unq 1 iso 0 dist 9.5589 8.10861 16.3192 5.02241 6.91765 10.1332 7.21717 15.293 5.99981 11.0681 numMergedOcc 0
35 mol 54 unq 1 iso 1 dist 8.10861 9.5589 16.3192 5.02241 10.1332 6.91765 7.21717 5.99981 15.293 11.0681 numMergedOcc 0
36 mol 54 unq 1 iso 0 dist 6.83299 8.10861 14.2075 5.02241 5.06052 10.1332 7.21717 13.86 5.99981 11.0681 numMergedOcc 0
37 mol 54 unq 1 iso 1 dist 8.10861 6.83299 14.2075 5.02241 10.1332 5.06052 7.21717 5.99981 13.86 11.0681 numMergedOcc 0
38 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 8.26899 5.98837 4.55117 7.21955 7.09066 7.12541 10.8421 numMergedOcc 0
39 mol 58 unq 0 iso 1 dist 7.32874 6.81627 5.47421 8.26899 4.55117 5.98837 7.21955 7.12541 7.09066 10.8421 numMergedOcc 0
40 mol 58 unq 1 iso 0 dist 6.81627 9.55426 9.7274 8.26899 5.98837 10.3782 7.21955 7.09066 5.74871 10.8421 numMergedOcc 0
41 mol 58 unq 1 iso 1 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 7.21955 5.74871 7.09066 10.8421 numMergedOcc 0
42 mol 58 unq 1 iso 0 dist 7.32874 9.55426 5.90225 8.26899 4.55117 10.3782 7.21955 7.12541 5.74871 10.8421 numMergedOcc 0
43 mol 58 unq 1 iso 1 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 7.21955 5.74871 7.12541 10.8421 numMergedOcc 0
44 mol 58 unq 2 iso 0 dist 6.86465 6.62496 5.30792 9.58673 5.92889 10.2241 8.80614 10.2049 9.95364 8.88332 numMergedOcc 0
45 mol 58 unq 2 iso 1 dist 6.62496 6.86465 5.30792 9.58673 10.2241 5.92889 8.80614 9.95364 10.2049 8.88332 numMergedOcc 0
46 mol 58 unq 3 iso 0 dist 6.86465 6.35756 5.35073 9.58673 5.92889 7.05413 8.80614 10.2049 5.49591 8.88332 numMergedOcc 0
47 mol 58 unq 3 iso 1 dist 6.35756 6.86465 5.35073 9.58673 7.05413 5.92889 8.80614 5.49591 10.2049 8.88332 numMergedOcc 0
48 mol 58 unq 3 iso 0 dist 6.62496 6.35756 4.81926 9.58673 10.2241 7.05413 8.80614 9.95364 5.49591 8.88332 numMergedOcc 0
49 mol 58 unq 3 iso 1 dist 6.35756 6.62496 4.81926 9.58673 7.05413 10.2241 8.80614 5.49591 9.95364 8.88332 numMergedOcc 0
50 mol 59 unq 0 iso 0 dist 7.71095 8.84665 12.5396 8.24062 5.3525 11.0387 6.73347 9.64444 4.36133 7.0313 numMergedOcc 0
51 mol 59 unq 0 iso 1 dist 8.84665 7.71095 12.5396 8.24062 11.0387 5.3525 6.73347 4.36133 9.64444 7.0313 numMergedOcc 0
52 mol 59 unq 1 iso 0 dist 7.71095 8.25513 8.19458 8.24062 5.3525 9.15805 6.73347 9.64444 6.66692 7.0313 numMergedOcc 0
53 mol 59 unq 1 iso 1 dist 8.25513 7.71095 8.19458 8.24062 9.15805 5.3525 6.73347 6.66692 9.64444 7.0313 numMergedOcc 0
54 mol 59 unq 1 iso 0 dist 8.84665 8.25513 6.40295 8.24062 11.0387 9.15805 6.73347 4.36133 6.66692 7.0313 numMergedOcc 0
55 mol 59 unq 1 iso 1 dist 8.25513 8.84665 6.40295 8.24062 9.15805 11.0387 6.73347 6.66692 4.36133 7.0313 numMergedOcc 0
56 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 6.77912 12.0644 7.11552 9.27838 15.434 11.6378 4.67641 numMergedOcc 0
57 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 9.27838 11.6378 15.434 4.67641 numMergedOcc 0
58 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 8.36431 10.9701 12.4284 8.91313 17.5889 13.3881 10.2475 numMergedOcc 0
59 mol 92 unq 0 iso 1 dist 9.64443 9.33898 13.1316 8.36431 12.4284 10.9701 8.91313 13.3881 17.5889 10.2475 numMergedOcc 0
60 mol 92 unq 1 iso 0 dist 9.33898 9.64443 13.1316 8.36431 10.9701 12.4284 8.16392 10.8304 5.90097 6.94695 numMergedOcc 0
61 mol 92 unq 1 iso 1 dist 9.64443 9.33898 13.1316 8.36431 12.4284 10.9701 8.16392 5.90097 10.8304 6.94695 numMergedOcc 0
62 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 6.58204 10.9608 5.01145 7.01812 5.80144 8.4128 10.0891 numMergedOcc 0
63 mol 100 unq 0 iso 1 dist 7.17106 9.60661 11.5403 6.58204 5.01145 10.9608 7.01812 8.4128 5.80144 10.0891 numMergedOcc 0
64 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 6.58204 10.9608 5.69137 7.01812 5.80144 10.0456 10.0891 numMergedOcc 0
65 mol 100 unq 1 iso 1 dist 9.35224 9.60661 7.80879 6.58204 5.69137 10.9608 7.01812 10.0456 5.80144 10.0891 numMergedOcc 0
66 mol 100 unq 1 iso 0 dist 7.17106 9.35224 8.87654 6.58204 5.01145 5.69137 7.01812 8.4128 10.0456 10.0891 numMergedOcc 0
67 mol 100 unq 1 iso 1 dist 9.35224 7.17106 8.87654 6.58204 5.69137 5.01145 7.01812 10.0456 8.4128 10.0891 numMergedOcc 0
68 mol 100 unq 2 iso 0 dist 6.45675 7.47343 5.33144 8.72704 7.2495 10.1589 7.38135 7.11701 11.2312 11.0949 numMergedOcc 0
69 mol 100 unq 2 iso 1 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 7.38135 11.2312 7.11701 11.0949 numMergedOcc 0
70 mol 100 unq 3 iso 0 dist 6.45675 8.86688 9.71151 8.72704 7.2495 15.9331 7.38135 7.11701 7.79768 11.0949 numMergedOcc 0
71 mol 100 unq 3 iso 1 dist 8.86688 6.45675 9.71151 8.72704 15.9331 7.2495 7.38135 7.79768 7.11701 11.0949 numMergedOcc 0
72 mol 100 unq 3 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 7.38135 11.2312 7.79768 11.0949 numMergedOcc 0
73 mol 100 unq 3 iso 1 dist 8.86688 7.47343 10.1407 8.72704 15.9331 10.1589 7.38135 7.79768 11.2312 11.0949 numMergedOcc 0
74 mol 100 unq 4 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 8.30845 12.2861 5.80144 10.0891 numMergedOcc 0
75 mol 100 unq 4 iso 1 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 8.30845 5.80144 12.2861 10.0891 numMergedOcc 0
76 mol 100 unq 5 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 8.76378 15.5385 12.3577 4.44538 numMergedOcc 0
77 mol 100 unq 5 iso 1 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 8.76378 12.3577 15.5385 4.44538 numMergedOcc 0
78 mol 100 unq 6 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 8.30845 12.2861 10.0456 10.0891 numMergedOcc 0
79 mol 100 unq 6 iso 1 dist 6.56369 7.47343 12.6515 7.75343 5.69137 15.209 8.30845 10.0456 12.2861 10.0891 numMergedOcc 0
80 mol 100 unq 7 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 8.76378 15.5385 4.97045 4.44538 numMergedOcc 0
81 mol 100 unq 7 iso 1 dist 6.56369 7.47343 12.6515 7.75343 5.69137 15.209 8.76378 4.97045 15.5385 4.44538 numMergedOcc 0
82 mol 100 unq 8 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 8.30845 12.2861 6.70236 10.0891 numMergedOcc 0
83 mol 100 unq 8 iso 1 dist 9.30209 7.47343 13.887 7.75343 9.21622 15.209 8.30845 6.70236 12.2861 10.0891 numMergedOcc 0
84 mol 100 unq 9 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 8.76378 15.5385 10.7791 4.44538 numMergedOcc 0
85 mol 100 unq 9 iso 1 dist 9.30209 7.47343 13.887 7.75343 9.21622 15.209 8.76378 10.7791 15.5385 4.44538 numMergedOcc 0
86 mol 100 unq 6 iso 0 dist 6.65086 6.56369 7.80879 7.75343 10.9608 5.69137 8.30845 5.80144 10.0456 10.0891 numMergedOcc 0
87 mol 100 unq 6 iso 1 dist 6.56369 6.65086 7.80879 7.75343 5.69137 10.9608 8.30845 10.0456 5.80144 10.0891 numMergedOcc 0
88 mol 100 unq 7 iso 0 dist 6.65086 6.56369 7.80879 7.75343 10.9608 5.69137 8.76378 12.3577 4.97045 4.44538 numMergedOcc 0
89 mol 100 unq 7 iso 1 dist 6.56369 6.65086 7.80879 7.75343 5.69137 10.9608 8.76378 4.97045 12.3577 4.44538 numMergedOcc 0
90 mol 100 unq 8 iso 0 dist 6.65086 9.30209 5.38414 7.75343 10.9608 9.21622 8.30845 5.80144 6.70236 10.0891 numMergedOcc 0
91 mol 100 unq 8 iso 1 dist 9.30209 6.65086 5.38414 7.75343 9.21622 10.9608 8.30845 6.70236 5.80144 10.0891 numMergedOcc 0
92 mol 100 unq 9 iso 0 dist 6.65086 9.30209 5.38414 7.75343 10.9608 9.21622 8.76378 12.3577 10.7791 4.44538 numMergedOcc 0
93 mol 100 unq 9 iso 1 dist 9.30209 6.65086 5.38414 7.75343 9.21622 10.9608 8.76378 10.7791 12.3577 4.44538 numMergedOcc 0
94 mol 100 unq 8 iso 0 dist 6.56369 9.30209 6.39938 7.75343 5.69137 9.21622 8.30845 10.0456 6.70236 10.0891 numMergedOcc 0
95 mol 100 unq 8 iso 1 dist 9.30209 6.56369 6.39938 7.75343 9.21622 5.69137 8.30845 6.70236 10.0456 10.0891 numMergedOcc 0
96 mol 100 unq 9 iso 0 dist 6.56369 9.30209 6.39938 7.75343 5.69137 9.21622 8.76378 4.97045 10.7791 4.44538 numMergedOcc 0
97 mol 100 unq 9 iso 1 dist 9.30209 6.56369 6.39938 7.75343 9.21622 5.69137 8.76378 10.7791 4.97045 4.44538 numMergedOcc 0
98 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 7.80532 7.41674 9.87376 14.1488 numMergedOcc 0
99 mol 134 unq 0 iso 1 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 7.80532 9.87376 7.41674 14.1488 numMergedOcc 0
100 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 7.36119 11.787 7.71144 7.30357 10.4977 12.3086 11.9671 numMergedOcc 0
101 mol 156 unq 0 iso 1 dist 9.06726 8.34702 6.31306 7.36119 7.71144 11.787 7.30357 12.3086 10.4977 11.9671 numMergedOcc 0
102 mol 156 unq 1 iso 0 dist 8.34702 9.06726 6.31306 7.36119 11.787 7.71144 8.61587 12.4274 10.9151 8.69711 numMergedOcc 0
103 mol 156 unq 1 iso 1 dist 9.06726 8.34702 6.31306 7.36119 7.71144 11.787 8.61587 10.9151 12.4274 8.69711 numMergedOcc 0
104 mol 156 unq 2 iso 0 dist 8.34702 8.33171 6.56229 7.36119 11.787 9.22231 7.30357 10.4977 7.79535 11.9671 numMergedOcc 0
105 mol 156 unq 2 iso 1 dist 8.33171 8.34702 6.56229 7.36119 9.22231 11.787 7.30357 7.79535 10.4977 11.9671 numMergedOcc 0
106 mol 156 unq 3 iso 0 dist 8.34702 8.33171 6.56229 7.36119 11.787 9.22231 8.61587 12.4274 6.98125 8.69711 numMergedOcc 0
107 mol 156 unq 3 iso 1 dist 8.33171 8.34702 6.56229 7.36119 9.22231 11.787 8.61587 6.98125 12.4274 8.69711 numMergedOcc 0
108 mol 156 unq 4 iso 0 dist 7.44554 8.94056 5.56175 6.27641 7.29758 8.67156 9.4013 5.71511 6.13574 5.05683 numMergedOcc 0
109 mol 156 unq 4 iso 1 dist 8.94056 7.44554 5.56175 6.27641 8.67156 7.29758 9.4013 6.13574 5.71511 5.05683 numMergedOcc 0
110 mol 156 unq 5 iso 0 dist 7.44554 9.83699 8.38403 6.27641 7.29758 4.53931 9.4013 5.71511 5.80008 5.05683 numMergedOcc 0
111 mol 156 unq 5 iso 1 dist 9.83699 7.44554 8.38403 6.27641 4.53931 7.29758 9.4013 5.80008 5.71511 5.05683 numMergedOcc 0
112 mol 156 unq 5 iso 0 dist 8.94056 9.83699 11.2719 6.27641 8.67156 4.53931 9.4013 6.13574 5.80008 5.05683 numMergedOcc 0
113 mol 156 unq 5 iso 1 dist 9.83699 8.94056 11.2719 6.27641 4.53931 8.67156 9.4013 5.80008 6.13574 5.05683 numMergedOcc 0
114 mol 156 unq 2 iso 0 dist 9.06726 8.33171 5.64555 7.36119 7.71144 9.22231 7.30357 12.3086 7.79535 11.9671 numMergedOcc 0
115 mol 156 unq 2 iso 1 dist 8.33171 9.06726 5.64555 7.36119 9.22231 7.71144 7.30357 7.79535 12.3086 11.9671 numMergedOcc 0
116 mol 156 unq 3 iso 0 dist 9.06726 8.33171 5.64555 7.36119 7.71144 9.22231 8.61587 10.9151 6.98125 8.69711 numMergedOcc 0
117 mol 156 unq 3 iso 1 dist 8.33171 9.06726 5.64555 7.36119 9.22231 7.71144 8.61587 6.98125 10.9151 8.69711 numMergedOcc 0
118 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 8.90963 8.91338 9.81073 4.43678 numMergedOcc 0
119 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 8.90963 9.81073 8.91338 4.43678 numMergedOcc 0
120 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 8.90963 8.91338 9.81073 6.03415 numMergedOcc 0
121 mol 181 unq 1 iso 1 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 8.90963 9.81073 8.91338 6.03415 numMergedOcc 0
122 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 8.90963 8.91338 9.34211 4.43678 numMergedOcc 0
123 mol 181 unq 2 iso 1 dist 9.15386 9.1374 12.1628 6.94688 6.80228 6.25083 8.90963 9.34211 8.91338 4.43678 numMergedOcc 0
124 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 8.90963 8.91338 9.34211 6.03415 numMergedOcc 0
125 mol 181 unq 3 iso 1 dist 9.15386 9.1374 12.1628 6.71012 11.6919 4.77278 8.90963 9.34211 8.91338 6.03415 numMergedOcc 0
126 mol 181 unq 2 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 8.90963 9.81073 9.34211 4.43678 numMergedOcc 0
127 mol 181 unq 2 iso 1 dist 9.15386 5.98885 5.16002 6.94688 6.80228 5.86342 8.90963 9.34211 9.81073 4.43678 numMergedOcc 0
128 mol 181 unq 3 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 8.90963 9.81073 9.34211 6.03415 numMergedOcc 0
129 mol 181 unq 3 iso 1 dist 9.15386 5.98885 5.16002 6.71012 11.6919 9.14057 8.90963 9.34211 9.81073 6.03415 numMergedOcc 0
130 mol 181 unq 4 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 9.72611 5.6044 12.9468 9.87435 numMergedOcc 0
131 mol 181 unq 4 iso 1 dist 9.09537 5.98885 10.1912 7.20046 6.14208 5.4601 9.72611 12.9468 5.6044 9.87435 numMergedOcc 0
132 mol 181 unq 5 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 7.99195 6.6251 10.09 4.69841 numMergedOcc 0
133 mol 181 unq 5 iso 1 dist 9.09537 5.98885 10.1912 7.20046 6.14208 5.4601 7.99195 10.09 6.6251 4.69841 numMergedOcc 0
134 mol 181 unq 6 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 9.72611 5.6044 12.9468 14.6648 numMergedOcc 0
135 mol 181 unq 6 iso 1 dist 9.09537 5.98885 10.1912 7.13543 5.95965 10.0524 9.72611 12.9468 5.6044 14.6648 numMergedOcc 0
136 mol 181 unq 7 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 7.99195 6.6251 10.09 7.23063 numMergedOcc 0
137 mol 181 unq 7 iso 1 dist 9.09537 5.98885 10.1912 7.13543 5.95965 10.0524 7.99195 10.09 6.6251 7.23063 numMergedOcc 0
138 mol 181 unq 4 iso 0 dist 7.81386 7.63312 8.85576 7.98142 9.53462 9.60512 5.94469 7.77758 12.5387 8.93991 numMergedOcc 0
139 mol 181 unq 4 iso 1 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 5.94469 12.5387 7.77758 8.93991 numMergedOcc 0
140 mol 181 unq 5 iso 0 dist 7.81386 7.63312 8.85576 7.37327 11.1462 13.3389 5.94469 7.77758 12.5387 5.35588 numMergedOcc 0
141 mol 181 unq 5 iso 1 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 5.94469 12.5387 7.77758 5.35588 numMergedOcc 0
142 mol 204 unq 0 iso 0 dist 7.10633 8.51516 10.8344 5.90931 5.09262 12.9483 9.68728 7.67571 10.8573 11.145 numMergedOcc 0
143 mol 204 unq 0 iso 1 dist 8.51516 7.10633 10.8344 5.90931 12.9483 5.09262 9.68728 10.8573 7.67571 11.145 numMergedOcc 0
144 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 9.19704 8.66809 6.23291 6.03688 8.15057 12.4957 14.6029 numMergedOcc 0
145 mol 205 unq 0 iso 1 dist 7.26832 6.03031 7.38516 9.19704 6.23291 8.66809 6.03688 12.4957 8.15057 14.6029 numMergedOcc 0
146 mol 205 unq 1 iso 0 dist 6.03031 7.80463 8.18714 9.19704 8.66809 13.231 6.03688 8.15057 6.09749 14.6029 numMergedOcc 0
147 mol 205 unq 1 iso 1 dist 7.80463 6.03031 8.18714 9.19704 13.231 8.66809 6.03688 6.09749 8.15057 14.6029 numMergedOcc 0
148 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 9.19704 6.23291 13.231 6.03688 12.4957 6.09749 14.6029 numMergedOcc 0
149 mol 205 unq 1 iso 1 dist 7.80463 7.26832 13.8543 9.19704 13.231 6.23291 6.03688 6.09749 12.4957 14.6029 numMergedOcc 0
150 mol 222 unq 0 iso 0 dist 8.01589 7.7699 10.4579 6.82208 4.8892 11.0074 7.67576 10.3151 7.81022 7.39748 numMergedOcc 0
151 mol 222 unq 0 iso 1 dist 7.7699 8.01589 10.4579 6.82208 11.0074 4.8892 7.67576 7.81022 10.3151 7.39748 numMergedOcc 0
152 mol 222 unq 1 iso 0 dist 8.01589 7.7699 10.4579 6.82208 4.8892 11.0074 9.82371 8.52017 15.7504 5.08928 numMergedOcc 0
153 mol 222 unq 1 iso 1 dist 7.7699 8.01589 10.4579 6.82208 11.0074 4.8892 9.82371 15.7504 8.52017 5.08928 numMergedOcc 0
154 mol 222 unq 2 iso 0 dist 8.01589 7.21333 13.3522 6.82208 4.8892 12.2813 7.67576 10.3151 7.75656 7.39748 numMergedOcc 0
155 mol 222 unq 2 iso 1 dist 7.21333 8.01589 13.3522 6.82208 12.2813 4.8892 7.67576 7.75656 10.3151 7.39748 numMergedOcc 0
156 mol 222 unq 3 iso 0 dist 8.01589 7.21333 13.3522 6.82208 4.8892 12.2813 9.82371 8.52017 16.0949 5.08928 numMergedOcc 0
157 mol 222 unq 3 iso 1 dist 7.21333 8.01589 13.3522 6.82208 12.2813 4.8892 9.82371 16.0949 8.52017 5.08928 numMergedOcc 0
158 mol 222 unq 2 iso 0 dist 7.7699 7.21333 5.24516 6.82208 11.0074 12.2813 7.67576 7.81022 7.75656 7.39748 numMergedOcc 0
159 mol 222 unq 2 iso 1 dist 7.21333 7.7699 5.24516 6.82208 12.2813 11.0074 7.67576 7.75656 7.81022 7.39748 numMergedOcc 0
160 mol 222 unq 3 iso 0 dist 7.7699 7.21333 5.24516 6.82208 11.0074 12.2813 9.82371 15.7504 16.0949 5.08928 numMergedOcc 0
161 mol 222 unq 3 iso 1 dist 7.21333 7.7699 5.24516 6.82208 12.2813 11.0074 9.82371 16.0949 15.7504 5.08928 numMergedOcc 0
162 mol 224 unq 0 iso 0 dist 9.40098 6.61986 9.54151 8.19953 8.64911 10.7113 9.51597 4.98993 12.4692 6.99977 numMergedOcc 0
163 mol 224 unq 0 iso 1 dist 6.61986 9.40098 9.54151 8.19953 10.7113 8.64911 9.51597 12.4692 4.98993 6.99977 numMergedOcc 0
164 mol 234 unq 0 iso 0 dist 8.34494 6.56247 6.29886 6.25105 10.3337 11.216 9.81425 4.3717 4.46561 13.0631 numMergedOcc 0
165 mol 234 unq 0 iso 1 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 9.81425 4.46561 4.3717 13.0631 numMergedOcc 0
166 mol 234 unq 1 iso 0 dist 8.34494 9.36357 12.1694 6.25105 10.3337 11.4315 9.81425 4.3717 10.641 13.0631 numMergedOcc 0
167 mol 234 unq 1 iso 1 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 9.81425 10.641 4.3717 13.0631 numMergedOcc 0
168 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 6.25105 11.216 11.4315 9.81425 4.46561 10.641 13.0631 numMergedOcc 0
169 mol 234 unq 1 iso 1 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 9.81425 10.641 4.46561 13.0631 numMergedOcc 0
170 mol 234 unq 2 iso 0 dist 8.41436 8.92474 8.62358 6.16063 11.3297 10.2563 6.30154 7.44558 10.9712 5.70413 numMergedOcc 0
171 mol 234 unq 2 iso 1 dist 8.92474 8.41436 8.62358 6.16063 10.2563 11.3297 6.30154 10.9712 7.44558 5.70413 numMergedOcc 0
172 mol 234 unq 3 iso 0 dist 8.41436 8.92474 8.62358 6.16063 11.3297 10.2563 7.32499 10.7902 4.4288 7.17691 numMergedOcc 0
173 mol 234 unq 3 iso 1 dist 8.92474 8.41436 8.62358 6.16063 10.2563 11.3297 7.32499 4.4288 10.7902 7.17691 numMergedOcc 0
174 mol 249 unq 0 iso 0 dist 7.57994 6.18582 5.01979 8.83735 5.23473 7.38675 5.48118 10.7772 7.04666 10.639 numMergedOcc 0
175 mol 249 unq 0 iso 1 dist 6.18582 7.57994 5.01979 8.83735 7.38675 5.23473 5.48118 7.04666 10.7772 10.639 numMergedOcc 0
176 mol 264 unq 0 iso 0 dist 9.361 6.24356 10.3202 9.0012 9.74238 5.12409 7.16853 11.1431 5.00209 9.76317 numMergedOcc 0
177 mol 264 unq 0 iso 1 dist 6.24356 9.361 10.3202 9.0012 5.12409 9.74238 7.16853 5.00209 11.1431 9.76317 numMergedOcc 0
178 mol 264 unq 1 iso 0 dist 9.361 6.24356 10.3202 9.5784 9.85579 9.67998 7.16853 11.1431 5.00209 13.9064 numMergedOcc 0
179 mol 264 unq 1 iso 1 dist 6.24356 9.361 10.3202 9.5784 9.67998 9.85579 7.16853 5.00209 11.1431 13.9064 numMergedOcc 0
180 mol 282 unq 0 iso 0 dist 8.04483 8.76532 10.0156 8.8673 10.1236 8.14825 9.0975 5.65568 8.12478 5.50768 numMergedOcc 0
181 mol 282 unq 0 iso 1 dist 8.76532 8.04483 10.0156 8.8673 8.14825 10.1236 9.0975 8.12478 5.65568 5.50768 numMergedOcc 0
182 mol 282 unq 1 iso 0 dist 8.04483 6.33524 5.39891 8.8673 10.1236 7.36881 9.0975 5.65568 5.0324 5.50768 numMergedOcc 0
183 mol 282 unq 1 iso 1 dist 6.33524 8.04483 5.39891 8.8673 7.36881 10.1236 9.0975 5.0324 5.65568 5.50768 numMergedOcc 0
184 mol 282 unq 1 iso 0 dist 8.76532 6.33524 4.66602 8.8673 8.14825 7.36881 9.0975 8.12478 5.0324 5.50768 numMergedOcc 0
185 mol 282 unq 1 iso 1 dist 6.33524 8.76532 4.66602 8.8673 7.36881 8.14825 9.0975 5.0324 8.12478 5.50768 numMergedOcc 0
