0 mol 79 unq 0 iso 0 dist 6.29267 9.64361 9.02602 5.22146 7.92114 14.4479 6.02092 4.15789 12.5014 4.69555 numMergedOcc 0
1 mol 79 unq 1 iso 0 dist 6.29267 9.64361 9.02602 9.79892 8.18375 16.0903 6.02092 4.15789 12.5014 6.49084 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 6.56288 5.97559 2.58673 8.175 4.29937 5.37869 7.14242 6.67137 7.04244 3.65186 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 6.56288 5.97559 2.58673 8.175 4.29937 5.37869 15.2173 9.78707 9.63449 12.2971 numMergedOcc 0
4 mol 85 unq 2 iso 0 dist 6.56288 5.97559 2.58673 9.3414 3.65628 4.05415 7.14242 6.67137 7.04244 7.00044 numMergedOcc 0
5 mol 85 unq 3 iso 0 dist 6.56288 5.97559 2.58673 9.3414 3.65628 4.05415 15.2173 9.78707 9.63449 8.64367 numMergedOcc 0
6 mol 85 unq 4 iso 0 dist 6.56288 5.97559 2.58673 14.8394 9.77774 9.97944 7.14242 6.67137 7.04244 16.1804 numMergedOcc 0
7 mol 85 unq 5 iso 0 dist 6.56288 5.97559 2.58673 14.8394 9.77774 9.97944 15.2173 9.78707 9.63449 3.21259 numMergedOcc 0
8 mol 85 unq 6 iso 0 dist 5.97559 6.56288 2.58673 8.175 5.37869 4.29937 8.62855 7.91193 10.4386 11.7094 numMergedOcc 0
9 mol 85 unq 7 iso 0 dist 5.97559 6.56288 2.58673 8.175 5.37869 4.29937 5.86553 9.09711 10.9264 11.8779 numMergedOcc 0
10 mol 85 unq 8 iso 0 dist 5.97559 6.56288 2.58673 8.175 5.37869 4.29937 7.14242 7.04244 6.67137 3.65186 numMergedOcc 0
11 mol 85 unq 9 iso 0 dist 5.97559 6.56288 2.58673 8.175 5.37869 4.29937 9.52671 7.07839 9.52926 10.0372 numMergedOcc 0
12 mol 85 unq 10 iso 0 dist 5.97559 6.56288 2.58673 8.175 5.37869 4.29937 15.2173 9.63449 9.78707 12.2971 numMergedOcc 0
13 mol 85 unq 11 iso 0 dist 5.97559 6.56288 2.58673 9.3414 4.05415 3.65628 8.62855 7.91193 10.4386 10.7591 numMergedOcc 0
14 mol 85 unq 12 iso 0 dist 5.97559 6.56288 2.58673 9.3414 4.05415 3.65628 5.86553 9.09711 10.9264 12.4835 numMergedOcc 0
15 mol 85 unq 13 iso 0 dist 5.97559 6.56288 2.58673 9.3414 4.05415 3.65628 7.14242 7.04244 6.67137 7.00044 numMergedOcc 0
16 mol 85 unq 14 iso 0 dist 5.97559 6.56288 2.58673 9.3414 4.05415 3.65628 9.52671 7.07839 9.52926 8.78995 numMergedOcc 0
17 mol 85 unq 15 iso 0 dist 5.97559 6.56288 2.58673 9.3414 4.05415 3.65628 15.2173 9.63449 9.78707 8.64367 numMergedOcc 0
18 mol 85 unq 16 iso 0 dist 5.97559 6.56288 2.58673 14.8394 9.97944 9.77774 8.62855 7.91193 10.4386 15.1209 numMergedOcc 0
19 mol 85 unq 17 iso 0 dist 5.97559 6.56288 2.58673 14.8394 9.97944 9.77774 5.86553 9.09711 10.9264 17.9023 numMergedOcc 0
20 mol 85 unq 18 iso 0 dist 5.97559 6.56288 2.58673 14.8394 9.97944 9.77774 7.14242 7.04244 6.67137 16.1804 numMergedOcc 0
21 mol 85 unq 19 iso 0 dist 5.97559 6.56288 2.58673 14.8394 9.97944 9.77774 9.52671 7.07839 9.52926 14.2664 numMergedOcc 0
22 mol 85 unq 20 iso 0 dist 5.97559 6.56288 2.58673 14.8394 9.97944 9.77774 15.2173 9.63449 9.78707 3.21259 numMergedOcc 0
23 mol 113 unq 0 iso 0 dist 9.44 8.47634 2.75715 15.8274 8.67025 11.1678 12.8761 5.31126 7.16619 9.59189 numMergedOcc 0
24 mol 113 unq 1 iso 0 dist 9.44 8.47634 2.75715 15.8274 8.67025 11.1678 7.68828 4.49669 5.88896 10.1118 numMergedOcc 0
25 mol 113 unq 2 iso 0 dist 9.44 8.47634 2.75715 15.8274 8.67025 11.1678 8.44413 6.00221 7.84239 8.19901 numMergedOcc 0
26 mol 113 unq 3 iso 0 dist 8.47634 9.44 2.75715 3.66763 9.60127 9.92079 12.8761 7.16619 5.31126 13.8379 numMergedOcc 0
27 mol 113 unq 4 iso 0 dist 8.47634 9.44 2.75715 3.66763 9.60127 9.92079 7.68828 5.88896 4.49669 8.39067 numMergedOcc 0
28 mol 116 unq 0 iso 0 dist 8.55413 7.65919 9.76537 14.4915 9.87354 14.9627 9.53399 6.55227 13.0017 6.51576 numMergedOcc 0
29 mol 120 unq 0 iso 0 dist 8.44206 5.39792 5.26524 9.64212 9.98772 12.1141 10.0743 9.31385 11.8836 3.28697 numMergedOcc 0
30 mol 120 unq 1 iso 0 dist 8.44206 5.39792 5.26524 9.64212 9.98772 12.1141 5.56137 6.98791 7.84207 4.5296 numMergedOcc 0
31 mol 120 unq 2 iso 0 dist 9.78884 7.00542 5.26524 10.8696 9.98772 12.1141 10.2233 9.31385 11.8836 3.28697 numMergedOcc 0
32 mol 120 unq 3 iso 0 dist 9.78884 7.00542 5.26524 10.8696 9.98772 12.1141 7.75617 6.98791 7.84207 4.5296 numMergedOcc 0
33 mol 194 unq 0 iso 0 dist 4.55528 4.42095 3.78714 8.22995 4.45769 5.89939 4.02402 5.10542 4.68722 9.23342 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 4.55528 4.42095 3.78714 12.3429 8.99961 8.18853 4.02402 5.10542 4.68722 11.7699 numMergedOcc 0
35 mol 194 unq 2 iso 0 dist 4.42095 4.55528 3.78714 8.22995 5.89939 4.45769 3.83542 5.18325 7.52366 10.3782 numMergedOcc 0
36 mol 194 unq 3 iso 0 dist 4.42095 4.55528 3.78714 8.22995 5.89939 4.45769 4.02402 4.68722 5.10542 9.23342 numMergedOcc 0
37 mol 194 unq 4 iso 0 dist 4.42095 4.55528 3.78714 12.3429 8.18853 8.99961 3.83542 5.18325 7.52366 13.0759 numMergedOcc 0
38 mol 194 unq 5 iso 0 dist 4.42095 4.55528 3.78714 12.3429 8.18853 8.99961 4.02402 4.68722 5.10542 11.7699 numMergedOcc 0
39 mol 194 unq 6 iso 0 dist 6.88386 4.63898 3.78714 7.39897 4.45769 5.89939 8.31549 5.10542 4.68722 9.23342 numMergedOcc 0
40 mol 194 unq 7 iso 0 dist 6.88386 4.63898 3.78714 10.3177 8.99961 8.18853 8.31549 5.10542 4.68722 11.7699 numMergedOcc 0
41 mol 194 unq 8 iso 0 dist 4.63898 6.88386 3.78714 7.39897 5.89939 4.45769 8.31549 4.68722 5.10542 9.23342 numMergedOcc 0
42 mol 194 unq 9 iso 0 dist 4.63898 6.88386 3.78714 7.39897 5.89939 4.45769 4.98625 5.18325 7.52366 10.3782 numMergedOcc 0
43 mol 194 unq 10 iso 0 dist 4.63898 6.88386 3.78714 10.3177 8.18853 8.99961 8.31549 4.68722 5.10542 11.7699 numMergedOcc 0
44 mol 194 unq 11 iso 0 dist 4.63898 6.88386 3.78714 10.3177 8.18853 8.99961 4.98625 5.18325 7.52366 13.0759 numMergedOcc 0
45 mol 204 unq 0 iso 0 dist 7.15344 9.60981 8.15958 10.7662 8.23717 15.6131 6.82158 8.32259 13.4407 5.80328 numMergedOcc 0
46 mol 204 unq 1 iso 0 dist 7.15344 9.60981 8.15958 10.7662 8.23717 15.6131 11.8793 8.54737 16.6387 3.68217 numMergedOcc 0
47 mol 204 unq 2 iso 0 dist 7.15344 9.98617 2.95898 10.7662 8.23717 7.98864 6.82158 8.32259 9.93489 5.80328 numMergedOcc 0
48 mol 204 unq 3 iso 0 dist 7.15344 9.98617 2.95898 10.7662 8.23717 7.98864 11.8793 8.54737 7.64057 3.68217 numMergedOcc 0
49 mol 204 unq 4 iso 0 dist 9.98617 9.60981 10.064 10.7662 7.98864 15.6131 6.82158 9.93489 13.4407 5.80328 numMergedOcc 0
50 mol 204 unq 5 iso 0 dist 9.98617 9.60981 10.064 10.7662 7.98864 15.6131 11.8793 7.64057 16.6387 3.68217 numMergedOcc 0
51 mol 204 unq 6 iso 0 dist 9.98617 7.15344 2.95898 10.7662 7.98864 8.23717 6.82158 9.93489 8.32259 5.80328 numMergedOcc 0
52 mol 204 unq 7 iso 0 dist 9.98617 7.15344 2.95898 10.7662 7.98864 8.23717 11.8793 7.64057 8.54737 3.68217 numMergedOcc 0
53 mol 287 unq 0 iso 0 dist 8.15636 7.86292 6.88819 6.60353 6.22311 10.9964 11.4888 6.24487 12.9958 5.96434 numMergedOcc 0
54 mol 288 unq 0 iso 0 dist 8.15636 7.86292 6.88819 6.60353 6.22311 10.9964 11.4888 6.24487 12.9958 5.96434 numMergedOcc 0
55 mol 289 unq 0 iso 0 dist 8.15636 7.86292 6.88819 6.60353 6.22311 10.9964 11.4888 6.24487 12.9958 5.96434 numMergedOcc 0
