0 mol 5 unq 0 iso 0 dist 7.77059 13.345 7.50453 11.7909 5.69239 3.33561 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.45559 9.59917 7.74636 8.41594 7.64769 5.31713 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 9.45559 9.59917 7.74636 12.663 8.31759 7.84244 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 7.4332 8.94762 8.34817 8.41594 9.70883 13.2371 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 7.4332 8.94762 8.34817 11.6739 9.65565 3.24598 numMergedOcc 0
5 mol 11 unq 0 iso 0 dist 9.74528 11.3059 9.89425 15.0022 6.83186 12.0683 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 5.65754 5.61248 7.7447 10.0962 8.25818 11.1587 numMergedOcc 0
7 mol 28 unq 0 iso 0 dist 7.7871 11.0435 9.2146 11.1346 8.53424 16.4255 numMergedOcc 0
8 mol 28 unq 1 iso 0 dist 7.7871 11.0435 9.2146 10.8275 7.08766 16.0765 numMergedOcc 0
9 mol 28 unq 2 iso 0 dist 7.7871 11.0435 9.2146 7.90018 4.82199 13.6412 numMergedOcc 0
10 mol 29 unq 0 iso 0 dist 6.80828 5.45544 5.99655 4.52631 9.2087 8.80559 numMergedOcc 0
11 mol 30 unq 0 iso 0 dist 7.88072 4.5844 8.67216 4.83638 9.63882 3.08756 numMergedOcc 0
12 mol 30 unq 1 iso 0 dist 7.88072 4.5844 8.67216 5.2103 6.87277 3.30447 numMergedOcc 0
13 mol 33 unq 0 iso 0 dist 7.89306 6.23577 4.64187 5.71433 4.78873 3.60218 numMergedOcc 0
14 mol 48 unq 0 iso 0 dist 8.26877 12.0497 7.78689 5.39197 8.22812 9.26377 numMergedOcc 0
15 mol 48 unq 1 iso 0 dist 8.26877 12.0497 7.78689 9.53255 4.22002 4.88527 numMergedOcc 0
16 mol 48 unq 2 iso 0 dist 8.26877 12.0497 7.78689 7.75132 5.77855 4.76279 numMergedOcc 0
17 mol 48 unq 3 iso 0 dist 8.26877 12.0497 7.78689 14.2848 8.10774 5.56357 numMergedOcc 0
18 mol 48 unq 4 iso 0 dist 8.26877 12.0497 7.78689 12.4977 6.5241 9.94951 numMergedOcc 0
19 mol 48 unq 5 iso 0 dist 7.99434 5.76698 7.78689 12.2756 8.22812 9.26377 numMergedOcc 0
20 mol 48 unq 6 iso 0 dist 7.99434 5.76698 7.78689 8.12843 4.22002 4.88527 numMergedOcc 0
21 mol 48 unq 7 iso 0 dist 7.99434 5.76698 7.78689 8.16676 5.77855 4.76279 numMergedOcc 0
22 mol 48 unq 8 iso 0 dist 7.99434 5.76698 7.78689 9.72202 8.10774 5.56357 numMergedOcc 0
23 mol 48 unq 9 iso 0 dist 7.99434 5.76698 7.78689 12.7252 6.5241 9.94951 numMergedOcc 0
24 mol 48 unq 10 iso 0 dist 7.49794 11.3706 7.70645 13.819 8.14245 5.43784 numMergedOcc 0
25 mol 48 unq 11 iso 0 dist 7.49794 11.3706 7.70645 11.8742 6.36817 9.7018 numMergedOcc 0
26 mol 48 unq 12 iso 0 dist 7.49794 11.3706 7.70645 5.44298 8.0812 8.95384 numMergedOcc 0
27 mol 48 unq 13 iso 0 dist 7.49794 11.3706 7.70645 9.10301 4.17933 4.57947 numMergedOcc 0
28 mol 48 unq 14 iso 0 dist 7.49794 11.3706 7.70645 7.24268 5.54893 4.60843 numMergedOcc 0
29 mol 48 unq 15 iso 0 dist 8.10222 5.75684 7.70645 9.57893 8.14245 5.43784 numMergedOcc 0
30 mol 48 unq 16 iso 0 dist 8.10222 5.75684 7.70645 12.6437 6.36817 9.7018 numMergedOcc 0
31 mol 48 unq 17 iso 0 dist 8.10222 5.75684 7.70645 12.0687 8.0812 8.95384 numMergedOcc 0
32 mol 48 unq 18 iso 0 dist 8.10222 5.75684 7.70645 7.88988 4.17933 4.57947 numMergedOcc 0
33 mol 48 unq 19 iso 0 dist 8.10222 5.75684 7.70645 8.00934 5.54893 4.60843 numMergedOcc 0
34 mol 63 unq 0 iso 0 dist 6.89855 5.74753 8.78414 5.04771 8.14512 4.73277 numMergedOcc 0
35 mol 63 unq 1 iso 0 dist 6.89855 5.74753 8.78414 9.54378 9.13228 10.1907 numMergedOcc 0
36 mol 63 unq 2 iso 0 dist 7.85738 5.82517 8.78414 9.28052 8.14512 4.73277 numMergedOcc 0
37 mol 63 unq 3 iso 0 dist 7.85738 5.82517 8.78414 4.44607 9.13228 10.1907 numMergedOcc 0
38 mol 68 unq 0 iso 0 dist 5.26566 9.4465 8.71074 5.08181 7.7485 7.18877 numMergedOcc 0
39 mol 76 unq 0 iso 0 dist 5.91098 13.363 9.57759 11.6853 7.66068 9.50354 numMergedOcc 0
40 mol 76 unq 1 iso 0 dist 5.91098 13.363 9.57759 15.0489 9.5043 12.0331 numMergedOcc 0
41 mol 76 unq 2 iso 0 dist 5.91098 13.363 9.57759 14.2393 8.34132 9.2434 numMergedOcc 0
42 mol 76 unq 3 iso 0 dist 4.86523 7.37421 9.57759 4.94673 7.66068 9.50354 numMergedOcc 0
43 mol 76 unq 4 iso 0 dist 4.86523 7.37421 9.57759 5.78236 9.5043 12.0331 numMergedOcc 0
44 mol 76 unq 5 iso 0 dist 4.86523 7.37421 9.57759 4.73151 8.34132 9.2434 numMergedOcc 0
45 mol 78 unq 0 iso 0 dist 6.11101 7.35151 9.38837 5.72585 9.07629 4.83106 numMergedOcc 0
46 mol 78 unq 1 iso 0 dist 6.11101 7.35151 9.38837 7.38398 8.61143 4.315 numMergedOcc 0
47 mol 78 unq 2 iso 0 dist 6.11101 4.76634 9.80913 5.72585 9.07629 9.40741 numMergedOcc 0
48 mol 78 unq 3 iso 0 dist 6.11101 4.76634 9.80913 7.38398 8.61143 9.00868 numMergedOcc 0
49 mol 79 unq 0 iso 0 dist 4.2253 5.21981 4.74254 8.65653 6.20144 7.19532 numMergedOcc 0
50 mol 83 unq 0 iso 0 dist 7.69755 4.93836 5.35861 4.12785 7.50925 3.62753 numMergedOcc 0
51 mol 83 unq 1 iso 0 dist 7.69755 4.93836 5.35861 6.83349 6.96722 3.65203 numMergedOcc 0
52 mol 83 unq 2 iso 0 dist 9.64197 8.82563 5.35861 9.58199 7.50925 3.62753 numMergedOcc 0
53 mol 83 unq 3 iso 0 dist 9.64197 8.82563 5.35861 8.6522 6.96722 3.65203 numMergedOcc 0
54 mol 85 unq 0 iso 0 dist 8.66427 12.4236 5.37869 5.26904 7.07839 10.0372 numMergedOcc 0
55 mol 85 unq 1 iso 0 dist 8.66427 12.4236 5.37869 11.9441 9.09711 11.8779 numMergedOcc 0
56 mol 85 unq 2 iso 0 dist 8.66427 12.4236 5.37869 13.8217 7.04244 3.65186 numMergedOcc 0
57 mol 85 unq 3 iso 0 dist 8.66427 12.4236 5.37869 6.77316 7.91193 11.7094 numMergedOcc 0
58 mol 85 unq 4 iso 0 dist 8.66427 12.4236 5.37869 9.54731 9.63449 12.2971 numMergedOcc 0
59 mol 85 unq 5 iso 0 dist 8.66427 9.61831 4.05415 5.26904 7.07839 8.78995 numMergedOcc 0
60 mol 85 unq 6 iso 0 dist 8.66427 9.61831 4.05415 11.9441 9.09711 12.4835 numMergedOcc 0
61 mol 85 unq 7 iso 0 dist 8.66427 9.61831 4.05415 13.8217 7.04244 7.00044 numMergedOcc 0
62 mol 85 unq 8 iso 0 dist 8.66427 9.61831 4.05415 6.77316 7.91193 10.7591 numMergedOcc 0
63 mol 85 unq 9 iso 0 dist 8.66427 9.61831 4.05415 9.54731 9.63449 8.64367 numMergedOcc 0
64 mol 85 unq 10 iso 0 dist 8.66427 11.3963 9.97944 5.26904 7.07839 14.2664 numMergedOcc 0
65 mol 85 unq 11 iso 0 dist 8.66427 11.3963 9.97944 11.9441 9.09711 17.9023 numMergedOcc 0
66 mol 85 unq 12 iso 0 dist 8.66427 11.3963 9.97944 13.8217 7.04244 16.1804 numMergedOcc 0
67 mol 85 unq 13 iso 0 dist 8.66427 11.3963 9.97944 6.77316 7.91193 15.1209 numMergedOcc 0
68 mol 85 unq 14 iso 0 dist 8.66427 11.3963 9.97944 9.54731 9.63449 3.21259 numMergedOcc 0
69 mol 85 unq 15 iso 0 dist 7.51319 8.08787 4.29937 6.90443 6.67137 3.65186 numMergedOcc 0
70 mol 85 unq 16 iso 0 dist 7.51319 8.08787 4.29937 17.0873 9.78707 12.2971 numMergedOcc 0
71 mol 85 unq 17 iso 0 dist 7.51319 10.4844 3.65628 6.90443 6.67137 7.00044 numMergedOcc 0
72 mol 85 unq 18 iso 0 dist 7.51319 10.4844 3.65628 17.0873 9.78707 8.64367 numMergedOcc 0
73 mol 85 unq 19 iso 0 dist 7.51319 16.4231 9.77774 6.90443 6.67137 16.1804 numMergedOcc 0
74 mol 85 unq 20 iso 0 dist 7.51319 16.4231 9.77774 17.0873 9.78707 3.21259 numMergedOcc 0
75 mol 85 unq 21 iso 0 dist 8.49887 8.08787 5.37869 13.5026 7.07839 10.0372 numMergedOcc 0
76 mol 85 unq 22 iso 0 dist 8.49887 8.08787 5.37869 10.1386 9.09711 11.8779 numMergedOcc 0
77 mol 85 unq 23 iso 0 dist 8.49887 8.08787 5.37869 6.90443 7.04244 3.65186 numMergedOcc 0
78 mol 85 unq 24 iso 0 dist 8.49887 8.08787 5.37869 13.1772 7.91193 11.7094 numMergedOcc 0
79 mol 85 unq 25 iso 0 dist 8.49887 8.08787 5.37869 17.0873 9.63449 12.2971 numMergedOcc 0
80 mol 85 unq 26 iso 0 dist 8.49887 10.4844 4.05415 13.5026 7.07839 8.78995 numMergedOcc 0
81 mol 85 unq 27 iso 0 dist 8.49887 10.4844 4.05415 10.1386 9.09711 12.4835 numMergedOcc 0
82 mol 85 unq 28 iso 0 dist 8.49887 10.4844 4.05415 6.90443 7.04244 7.00044 numMergedOcc 0
83 mol 85 unq 29 iso 0 dist 8.49887 10.4844 4.05415 13.1772 7.91193 10.7591 numMergedOcc 0
84 mol 85 unq 30 iso 0 dist 8.49887 10.4844 4.05415 17.0873 9.63449 8.64367 numMergedOcc 0
85 mol 85 unq 31 iso 0 dist 8.49887 16.4231 9.97944 13.5026 7.07839 14.2664 numMergedOcc 0
86 mol 85 unq 32 iso 0 dist 8.49887 16.4231 9.97944 10.1386 9.09711 17.9023 numMergedOcc 0
87 mol 85 unq 33 iso 0 dist 8.49887 16.4231 9.97944 6.90443 7.04244 16.1804 numMergedOcc 0
88 mol 85 unq 34 iso 0 dist 8.49887 16.4231 9.97944 13.1772 7.91193 15.1209 numMergedOcc 0
89 mol 85 unq 35 iso 0 dist 8.49887 16.4231 9.97944 17.0873 9.63449 3.21259 numMergedOcc 0
90 mol 85 unq 36 iso 0 dist 9.43839 11.053 4.29937 14.6513 6.67137 3.65186 numMergedOcc 0
91 mol 85 unq 37 iso 0 dist 9.43839 11.053 4.29937 4.43737 9.78707 12.2971 numMergedOcc 0
92 mol 85 unq 38 iso 0 dist 9.43839 7.97629 3.65628 14.6513 6.67137 7.00044 numMergedOcc 0
93 mol 85 unq 39 iso 0 dist 9.43839 7.97629 3.65628 4.43737 9.78707 8.64367 numMergedOcc 0
94 mol 85 unq 40 iso 0 dist 9.43839 5.46713 9.77774 14.6513 6.67137 16.1804 numMergedOcc 0
95 mol 85 unq 41 iso 0 dist 9.43839 5.46713 9.77774 4.43737 9.78707 3.21259 numMergedOcc 0
96 mol 90 unq 0 iso 0 dist 8.63446 6.55381 7.62463 4.77556 5.24346 5.4118 numMergedOcc 0
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98 mol 107 unq 1 iso 0 dist 7.2168 9.89064 5.31375 15.3177 8.19484 8.32169 numMergedOcc 0
99 mol 107 unq 2 iso 0 dist 7.2168 13.076 6.49371 8.41816 8.88124 10.4294 numMergedOcc 0
100 mol 107 unq 3 iso 0 dist 7.2168 13.076 6.49371 15.3177 8.19484 3.40943 numMergedOcc 0
101 mol 143 unq 0 iso 0 dist 9.99012 12.1494 6.60366 11.9534 4.3855 5.94217 numMergedOcc 0
102 mol 143 unq 1 iso 0 dist 5.33772 7.11802 6.60366 5.08025 4.3855 5.94217 numMergedOcc 0
103 mol 186 unq 0 iso 0 dist 4.79423 9.5548 8.92135 5.86994 7.25595 14.4913 numMergedOcc 0
104 mol 186 unq 1 iso 0 dist 4.79423 9.5548 8.92135 8.74892 9.94825 5.43612 numMergedOcc 0
105 mol 194 unq 0 iso 0 dist 7.56217 5.39223 4.45769 11.7008 5.10542 9.23342 numMergedOcc 0
106 mol 194 unq 1 iso 0 dist 7.56217 7.15294 8.99961 11.7008 5.10542 11.7699 numMergedOcc 0
107 mol 194 unq 2 iso 0 dist 9.81055 5.39223 5.89939 11.7008 4.68722 9.23342 numMergedOcc 0
108 mol 194 unq 3 iso 0 dist 9.81055 5.39223 5.89939 14.7138 5.18325 10.3782 numMergedOcc 0
109 mol 194 unq 4 iso 0 dist 9.81055 7.15294 8.18853 11.7008 4.68722 11.7699 numMergedOcc 0
110 mol 194 unq 5 iso 0 dist 9.81055 7.15294 8.18853 14.7138 5.18325 13.0759 numMergedOcc 0
111 mol 204 unq 0 iso 0 dist 8.77524 5.9943 7.33774 10.6524 8.32259 4.7839 numMergedOcc 0
112 mol 204 unq 1 iso 0 dist 8.77524 5.9943 7.33774 9.88337 9.93489 4.05102 numMergedOcc 0
113 mol 204 unq 2 iso 0 dist 9.26192 9.9686 7.98864 13.8736 9.93489 5.80328 numMergedOcc 0
114 mol 204 unq 3 iso 0 dist 9.26192 9.9686 7.98864 6.40044 7.64057 3.68217 numMergedOcc 0
115 mol 214 unq 0 iso 0 dist 9.53899 10.0389 7.66702 6.49466 7.42759 3.64285 numMergedOcc 0
116 mol 254 unq 0 iso 0 dist 9.84028 8.2786 5.6417 11.4342 7.85841 8.8967 numMergedOcc 0
117 mol 254 unq 1 iso 0 dist 9.84028 8.2786 5.6417 11.2466 9.20109 10.929 numMergedOcc 0
118 mol 254 unq 2 iso 0 dist 9.84028 5.20737 7.42831 11.4342 7.85841 9.42679 numMergedOcc 0
119 mol 254 unq 3 iso 0 dist 9.84028 5.20737 7.42831 11.2466 9.20109 10.706 numMergedOcc 0
120 mol 260 unq 0 iso 0 dist 6.90472 4.35925 9.73217 11.9315 8.62655 15.6308 numMergedOcc 0
121 mol 260 unq 1 iso 0 dist 6.90472 13.8859 7.49606 11.9315 8.62655 7.35802 numMergedOcc 0
122 mol 260 unq 2 iso 0 dist 6.90472 13.5662 8.06377 11.9315 8.62655 10.4054 numMergedOcc 0
123 mol 266 unq 0 iso 0 dist 6.48382 7.90149 8.20376 5.79323 6.96692 3.68488 numMergedOcc 0
124 mol 266 unq 1 iso 0 dist 6.48382 7.90149 8.20376 7.52317 8.25286 3.14784 numMergedOcc 0
125 mol 266 unq 2 iso 0 dist 6.48382 7.90149 8.20376 9.52953 9.9965 5.95721 numMergedOcc 0
126 mol 277 unq 0 iso 0 dist 4.1545 6.65084 5.13533 5.11865 7.98956 10.5214 numMergedOcc 0
127 mol 285 unq 0 iso 0 dist 4.95596 5.62841 4.27826 4.57431 5.88958 3.14843 numMergedOcc 0
128 mol 285 unq 1 iso 0 dist 6.3508 5.62841 5.82074 4.57431 7.78121 3.14843 numMergedOcc 0
129 mol 287 unq 0 iso 0 dist 8.17436 7.94344 4.93516 9.08224 4.68668 3.66473 numMergedOcc 0
130 mol 288 unq 0 iso 0 dist 8.17436 7.94344 4.93516 9.08224 4.68668 3.66473 numMergedOcc 0
131 mol 289 unq 0 iso 0 dist 8.17436 7.94344 4.93516 9.08224 4.68668 3.66473 numMergedOcc 0
