0 mol 5 unq 0 iso 0 dist 6.66949 11.1238 7.77059 7.24092 7.50453 13.345 4.05341 5.69239 11.7909 3.33561 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.11382 6.74888 5.65754 4.79206 7.7447 5.61248 11.1055 8.25818 10.0962 11.1587 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.56722 4.2863 7.7871 14.9575 9.2146 11.0435 10.8301 8.53424 11.1346 16.4255 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 9.56722 4.2863 7.7871 14.9575 9.2146 11.0435 10.0008 7.08766 10.8275 16.0765 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 9.56722 4.2863 7.7871 14.9575 9.2146 11.0435 7.55139 4.82199 7.90018 13.6412 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.63792 8.29882 5.91098 9.51274 9.57759 13.363 8.58059 7.66068 11.6853 9.50354 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 8.63792 8.29882 5.91098 9.51274 9.57759 13.363 14.7497 9.5043 15.0489 12.0331 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 8.63792 8.29882 5.91098 9.51274 9.57759 13.363 14.3572 8.34132 14.2393 9.2434 numMergedOcc 0
8 mol 76 unq 3 iso 0 dist 8.63792 9.77859 4.86523 9.51274 9.57759 7.37421 8.58059 7.66068 4.94673 9.50354 numMergedOcc 0
9 mol 76 unq 4 iso 0 dist 8.63792 9.77859 4.86523 9.51274 9.57759 7.37421 14.7497 9.5043 5.78236 12.0331 numMergedOcc 0
10 mol 76 unq 5 iso 0 dist 8.63792 9.77859 4.86523 9.51274 9.57759 7.37421 14.3572 8.34132 4.73151 9.2434 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 8.39335 6.59097 6.11101 13.8821 9.38837 7.35151 11.779 9.07629 5.72585 4.83106 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 8.39335 6.59097 6.11101 13.8821 9.38837 7.35151 13.0405 8.61143 7.38398 4.315 numMergedOcc 0
13 mol 78 unq 2 iso 0 dist 8.39335 6.59097 6.11101 6.6691 9.80913 4.76634 11.779 9.07629 5.72585 9.40741 numMergedOcc 0
14 mol 78 unq 3 iso 0 dist 8.39335 6.59097 6.11101 6.6691 9.80913 4.76634 13.0405 8.61143 7.38398 9.00868 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 6.56288 4.75717 7.51319 8.175 4.29937 8.08787 7.14242 6.67137 6.90443 3.65186 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 6.56288 4.75717 7.51319 8.175 4.29937 8.08787 15.2173 9.78707 17.0873 12.2971 numMergedOcc 0
17 mol 85 unq 2 iso 0 dist 6.56288 4.75717 7.51319 9.3414 3.65628 10.4844 7.14242 6.67137 6.90443 7.00044 numMergedOcc 0
18 mol 85 unq 3 iso 0 dist 6.56288 4.75717 7.51319 9.3414 3.65628 10.4844 15.2173 9.78707 17.0873 8.64367 numMergedOcc 0
19 mol 85 unq 4 iso 0 dist 6.56288 4.75717 7.51319 14.8394 9.77774 16.4231 7.14242 6.67137 6.90443 16.1804 numMergedOcc 0
20 mol 85 unq 5 iso 0 dist 6.56288 4.75717 7.51319 14.8394 9.77774 16.4231 15.2173 9.78707 17.0873 3.21259 numMergedOcc 0
21 mol 85 unq 6 iso 0 dist 6.56288 15.811 9.43839 8.175 4.29937 11.053 7.14242 6.67137 14.6513 3.65186 numMergedOcc 0
22 mol 85 unq 7 iso 0 dist 6.56288 15.811 9.43839 8.175 4.29937 11.053 15.2173 9.78707 4.43737 12.2971 numMergedOcc 0
23 mol 85 unq 8 iso 0 dist 6.56288 15.811 9.43839 9.3414 3.65628 7.97629 7.14242 6.67137 14.6513 7.00044 numMergedOcc 0
24 mol 85 unq 9 iso 0 dist 6.56288 15.811 9.43839 9.3414 3.65628 7.97629 15.2173 9.78707 4.43737 8.64367 numMergedOcc 0
25 mol 85 unq 10 iso 0 dist 6.56288 15.811 9.43839 14.8394 9.77774 5.46713 7.14242 6.67137 14.6513 16.1804 numMergedOcc 0
26 mol 85 unq 11 iso 0 dist 6.56288 15.811 9.43839 14.8394 9.77774 5.46713 15.2173 9.78707 4.43737 3.21259 numMergedOcc 0
27 mol 85 unq 12 iso 0 dist 5.97559 12.9091 8.66427 8.175 5.37869 12.4236 8.62855 7.91193 6.77316 11.7094 numMergedOcc 0
28 mol 85 unq 13 iso 0 dist 5.97559 12.9091 8.66427 8.175 5.37869 12.4236 5.86553 9.09711 11.9441 11.8779 numMergedOcc 0
29 mol 85 unq 14 iso 0 dist 5.97559 12.9091 8.66427 8.175 5.37869 12.4236 7.14242 7.04244 13.8217 3.65186 numMergedOcc 0
30 mol 85 unq 15 iso 0 dist 5.97559 12.9091 8.66427 8.175 5.37869 12.4236 9.52671 7.07839 5.26904 10.0372 numMergedOcc 0
31 mol 85 unq 16 iso 0 dist 5.97559 12.9091 8.66427 8.175 5.37869 12.4236 15.2173 9.63449 9.54731 12.2971 numMergedOcc 0
32 mol 85 unq 17 iso 0 dist 5.97559 12.9091 8.66427 9.3414 4.05415 9.61831 8.62855 7.91193 6.77316 10.7591 numMergedOcc 0
33 mol 85 unq 18 iso 0 dist 5.97559 12.9091 8.66427 9.3414 4.05415 9.61831 5.86553 9.09711 11.9441 12.4835 numMergedOcc 0
34 mol 85 unq 19 iso 0 dist 5.97559 12.9091 8.66427 9.3414 4.05415 9.61831 7.14242 7.04244 13.8217 7.00044 numMergedOcc 0
35 mol 85 unq 20 iso 0 dist 5.97559 12.9091 8.66427 9.3414 4.05415 9.61831 9.52671 7.07839 5.26904 8.78995 numMergedOcc 0
36 mol 85 unq 21 iso 0 dist 5.97559 12.9091 8.66427 9.3414 4.05415 9.61831 15.2173 9.63449 9.54731 8.64367 numMergedOcc 0
37 mol 85 unq 22 iso 0 dist 5.97559 12.9091 8.66427 14.8394 9.97944 11.3963 8.62855 7.91193 6.77316 15.1209 numMergedOcc 0
38 mol 85 unq 23 iso 0 dist 5.97559 12.9091 8.66427 14.8394 9.97944 11.3963 5.86553 9.09711 11.9441 17.9023 numMergedOcc 0
39 mol 85 unq 24 iso 0 dist 5.97559 12.9091 8.66427 14.8394 9.97944 11.3963 7.14242 7.04244 13.8217 16.1804 numMergedOcc 0
40 mol 85 unq 25 iso 0 dist 5.97559 12.9091 8.66427 14.8394 9.97944 11.3963 9.52671 7.07839 5.26904 14.2664 numMergedOcc 0
41 mol 85 unq 26 iso 0 dist 5.97559 12.9091 8.66427 14.8394 9.97944 11.3963 15.2173 9.63449 9.54731 3.21259 numMergedOcc 0
42 mol 85 unq 27 iso 0 dist 5.97559 4.75717 8.49887 8.175 5.37869 8.08787 5.86553 9.09711 10.1386 11.8779 numMergedOcc 0
43 mol 85 unq 28 iso 0 dist 5.97559 4.75717 8.49887 8.175 5.37869 8.08787 8.62855 7.91193 13.1772 11.7094 numMergedOcc 0
44 mol 85 unq 29 iso 0 dist 5.97559 4.75717 8.49887 8.175 5.37869 8.08787 7.14242 7.04244 6.90443 3.65186 numMergedOcc 0
45 mol 85 unq 30 iso 0 dist 5.97559 4.75717 8.49887 8.175 5.37869 8.08787 9.52671 7.07839 13.5026 10.0372 numMergedOcc 0
46 mol 85 unq 31 iso 0 dist 5.97559 4.75717 8.49887 8.175 5.37869 8.08787 15.2173 9.63449 17.0873 12.2971 numMergedOcc 0
47 mol 85 unq 32 iso 0 dist 5.97559 4.75717 8.49887 9.3414 4.05415 10.4844 5.86553 9.09711 10.1386 12.4835 numMergedOcc 0
48 mol 85 unq 33 iso 0 dist 5.97559 4.75717 8.49887 9.3414 4.05415 10.4844 8.62855 7.91193 13.1772 10.7591 numMergedOcc 0
49 mol 85 unq 34 iso 0 dist 5.97559 4.75717 8.49887 9.3414 4.05415 10.4844 7.14242 7.04244 6.90443 7.00044 numMergedOcc 0
50 mol 85 unq 35 iso 0 dist 5.97559 4.75717 8.49887 9.3414 4.05415 10.4844 9.52671 7.07839 13.5026 8.78995 numMergedOcc 0
51 mol 85 unq 36 iso 0 dist 5.97559 4.75717 8.49887 9.3414 4.05415 10.4844 15.2173 9.63449 17.0873 8.64367 numMergedOcc 0
52 mol 85 unq 37 iso 0 dist 5.97559 4.75717 8.49887 14.8394 9.97944 16.4231 5.86553 9.09711 10.1386 17.9023 numMergedOcc 0
53 mol 85 unq 38 iso 0 dist 5.97559 4.75717 8.49887 14.8394 9.97944 16.4231 8.62855 7.91193 13.1772 15.1209 numMergedOcc 0
54 mol 85 unq 39 iso 0 dist 5.97559 4.75717 8.49887 14.8394 9.97944 16.4231 7.14242 7.04244 6.90443 16.1804 numMergedOcc 0
55 mol 85 unq 40 iso 0 dist 5.97559 4.75717 8.49887 14.8394 9.97944 16.4231 9.52671 7.07839 13.5026 14.2664 numMergedOcc 0
56 mol 85 unq 41 iso 0 dist 5.97559 4.75717 8.49887 14.8394 9.97944 16.4231 15.2173 9.63449 17.0873 3.21259 numMergedOcc 0
57 mol 90 unq 0 iso 0 dist 6.77993 7.89197 8.63446 5.41241 7.62463 6.55381 3.79142 5.24346 4.77556 5.4118 numMergedOcc 0
58 mol 194 unq 0 iso 0 dist 4.55528 12.1121 7.56217 8.22995 4.45769 5.39223 4.02402 5.10542 11.7008 9.23342 numMergedOcc 0
59 mol 194 unq 1 iso 0 dist 4.55528 12.1121 7.56217 12.3429 8.99961 7.15294 4.02402 5.10542 11.7008 11.7699 numMergedOcc 0
60 mol 194 unq 2 iso 0 dist 4.42095 12.1121 9.81055 8.22995 5.89939 5.39223 3.83542 5.18325 14.7138 10.3782 numMergedOcc 0
61 mol 194 unq 3 iso 0 dist 4.42095 12.1121 9.81055 8.22995 5.89939 5.39223 4.02402 4.68722 11.7008 9.23342 numMergedOcc 0
62 mol 194 unq 4 iso 0 dist 4.42095 12.1121 9.81055 12.3429 8.18853 7.15294 3.83542 5.18325 14.7138 13.0759 numMergedOcc 0
63 mol 194 unq 5 iso 0 dist 4.42095 12.1121 9.81055 12.3429 8.18853 7.15294 4.02402 4.68722 11.7008 11.7699 numMergedOcc 0
64 mol 194 unq 6 iso 0 dist 6.88386 12.5858 7.56217 7.39897 4.45769 5.39223 8.31549 5.10542 11.7008 9.23342 numMergedOcc 0
65 mol 194 unq 7 iso 0 dist 6.88386 12.5858 7.56217 10.3177 8.99961 7.15294 8.31549 5.10542 11.7008 11.7699 numMergedOcc 0
66 mol 194 unq 8 iso 0 dist 4.63898 12.5858 9.81055 7.39897 5.89939 5.39223 8.31549 4.68722 11.7008 9.23342 numMergedOcc 0
67 mol 194 unq 9 iso 0 dist 4.63898 12.5858 9.81055 7.39897 5.89939 5.39223 4.98625 5.18325 14.7138 10.3782 numMergedOcc 0
68 mol 194 unq 10 iso 0 dist 4.63898 12.5858 9.81055 10.3177 8.18853 7.15294 8.31549 4.68722 11.7008 11.7699 numMergedOcc 0
69 mol 194 unq 11 iso 0 dist 4.63898 12.5858 9.81055 10.3177 8.18853 7.15294 4.98625 5.18325 14.7138 13.0759 numMergedOcc 0
70 mol 194 unq 12 iso 0 dist 9.53641 17.439 9.81055 15.1388 5.89939 5.39223 7.40457 4.68722 11.7008 9.23342 numMergedOcc 0
71 mol 194 unq 13 iso 0 dist 9.53641 17.439 9.81055 15.1388 5.89939 5.39223 8.48051 5.18325 14.7138 10.3782 numMergedOcc 0
72 mol 194 unq 14 iso 0 dist 9.53641 17.439 9.81055 14.9856 8.18853 7.15294 7.40457 4.68722 11.7008 11.7699 numMergedOcc 0
73 mol 194 unq 15 iso 0 dist 9.53641 17.439 9.81055 14.9856 8.18853 7.15294 8.48051 5.18325 14.7138 13.0759 numMergedOcc 0
74 mol 204 unq 0 iso 0 dist 9.98617 14.5106 9.26192 10.7662 7.98864 9.9686 6.82158 9.93489 13.8736 5.80328 numMergedOcc 0
75 mol 204 unq 1 iso 0 dist 9.98617 14.5106 9.26192 10.7662 7.98864 9.9686 11.8793 7.64057 6.40044 3.68217 numMergedOcc 0
76 mol 266 unq 0 iso 0 dist 5.28746 5.36882 6.48382 11.5675 8.20376 7.90149 9.23405 6.96692 5.79323 3.68488 numMergedOcc 0
77 mol 266 unq 1 iso 0 dist 5.28746 5.36882 6.48382 11.5675 8.20376 7.90149 11.313 8.25286 7.52317 3.14784 numMergedOcc 0
78 mol 266 unq 2 iso 0 dist 5.28746 5.36882 6.48382 11.5675 8.20376 7.90149 13.005 9.9965 9.52953 5.95721 numMergedOcc 0
79 mol 287 unq 0 iso 0 dist 8.4625 12.5437 8.17436 8.93497 4.93516 7.94344 11.4589 4.68668 9.08224 3.66473 numMergedOcc 0
80 mol 288 unq 0 iso 0 dist 8.4625 12.5437 8.17436 8.93497 4.93516 7.94344 11.4589 4.68668 9.08224 3.66473 numMergedOcc 0
81 mol 289 unq 0 iso 0 dist 8.4625 12.5437 8.17436 8.93497 4.93516 7.94344 11.4589 4.68668 9.08224 3.66473 numMergedOcc 0
