0 mol 79 unq 0 iso 0 dist 6.29267 9.64361 9.02602 5.22146 7.92114 14.4479 numMergedOcc 0
1 mol 79 unq 1 iso 0 dist 6.29267 9.64361 9.02602 9.79892 8.18375 16.0903 numMergedOcc 0
2 mol 79 unq 2 iso 0 dist 6.75985 9.86131 5.66184 7.18166 4.62636 10.2881 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 6.56288 5.97559 2.58673 8.175 4.29937 5.37869 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 6.56288 5.97559 2.58673 9.3414 3.65628 4.05415 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 6.56288 5.97559 2.58673 14.8394 9.77774 9.97944 numMergedOcc 0
6 mol 85 unq 3 iso 0 dist 5.97559 6.56288 2.58673 8.175 5.37869 4.29937 numMergedOcc 0
7 mol 85 unq 4 iso 0 dist 5.97559 6.56288 2.58673 9.3414 4.05415 3.65628 numMergedOcc 0
8 mol 85 unq 5 iso 0 dist 5.97559 6.56288 2.58673 14.8394 9.97944 9.77774 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 9.44 8.47634 2.75715 15.8274 8.67025 11.1678 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 8.47634 9.44 2.75715 3.66763 9.60127 9.92079 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 8.55413 7.65919 9.76537 14.4915 9.87354 14.9627 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 8.44206 5.39792 5.26524 9.64212 9.98772 12.1141 numMergedOcc 0
13 mol 120 unq 1 iso 0 dist 9.78884 7.00542 5.26524 10.8696 9.98772 12.1141 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 8.5107 9.81187 8.21185 10.4037 9.9109 16.9528 numMergedOcc 0
15 mol 176 unq 1 iso 0 dist 8.5107 9.71347 6.79616 10.4037 9.9109 15.9706 numMergedOcc 0
16 mol 176 unq 2 iso 0 dist 8.5107 8.77405 3.47516 10.4037 9.9109 12.5252 numMergedOcc 0
17 mol 176 unq 3 iso 0 dist 8.90797 4.67031 8.21185 15.1544 9.9109 16.9528 numMergedOcc 0
18 mol 176 unq 4 iso 0 dist 8.90797 6.20326 6.79616 15.1544 9.9109 15.9706 numMergedOcc 0
19 mol 176 unq 5 iso 0 dist 8.90797 8.98043 6.34877 15.1544 9.9109 12.532 numMergedOcc 0
20 mol 176 unq 6 iso 0 dist 8.90797 6.8243 3.47516 15.1544 9.9109 12.5252 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 8.73302 7.42696 9.91264 10.5797 5.23187 11.2399 numMergedOcc 0
22 mol 184 unq 1 iso 0 dist 8.73302 5.86468 8.04915 10.5797 5.23187 11.6495 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 4.55528 4.42095 3.78714 8.22995 4.45769 5.89939 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 4.55528 4.42095 3.78714 12.3429 8.99961 8.18853 numMergedOcc 0
25 mol 194 unq 2 iso 0 dist 4.42095 4.55528 3.78714 8.22995 5.89939 4.45769 numMergedOcc 0
26 mol 194 unq 3 iso 0 dist 4.42095 4.55528 3.78714 12.3429 8.18853 8.99961 numMergedOcc 0
27 mol 194 unq 4 iso 0 dist 6.88386 4.63898 3.78714 7.39897 4.45769 5.89939 numMergedOcc 0
28 mol 194 unq 5 iso 0 dist 6.88386 4.63898 3.78714 10.3177 8.99961 8.18853 numMergedOcc 0
29 mol 194 unq 6 iso 0 dist 4.63898 6.88386 3.78714 7.39897 5.89939 4.45769 numMergedOcc 0
30 mol 194 unq 7 iso 0 dist 4.63898 6.88386 3.78714 10.3177 8.18853 8.99961 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 7.15344 9.60981 8.15958 10.7662 8.23717 15.6131 numMergedOcc 0
32 mol 204 unq 1 iso 0 dist 7.15344 9.98617 2.95898 10.7662 8.23717 7.98864 numMergedOcc 0
33 mol 204 unq 2 iso 0 dist 9.98617 9.60981 10.064 10.7662 7.98864 15.6131 numMergedOcc 0
34 mol 204 unq 3 iso 0 dist 9.98617 7.15344 2.95898 10.7662 7.98864 8.23717 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 7.45508 5.79883 12.7924 10.7383 7.97504 16.2015 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 8.15636 7.86292 6.88819 6.60353 6.22311 10.9964 numMergedOcc 0
37 mol 288 unq 0 iso 0 dist 8.15636 7.86292 6.88819 6.60353 6.22311 10.9964 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 8.15636 7.86292 6.88819 6.60353 6.22311 10.9964 numMergedOcc 0
