0 mol 78 unq 0 iso 0 dist 8.39335 13.8821 9.38837 6.6691 9.80913 10.208 numMergedOcc 0
1 mol 78 unq 0 iso 1 dist 8.39335 6.6691 9.80913 13.8821 9.38837 10.208 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 6.29267 5.22146 7.92114 9.79892 8.18375 7.11515 numMergedOcc 0
3 mol 79 unq 0 iso 1 dist 6.29267 9.79892 8.18375 5.22146 7.92114 7.11515 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.56288 8.175 4.29937 9.3414 3.65628 3.78063 numMergedOcc 0
5 mol 85 unq 0 iso 1 dist 6.56288 9.3414 3.65628 8.175 4.29937 3.78063 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.56288 8.175 4.29937 14.8394 9.77774 13.0538 numMergedOcc 0
7 mol 85 unq 1 iso 1 dist 6.56288 14.8394 9.77774 8.175 4.29937 13.0538 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 6.56288 9.3414 3.65628 14.8394 9.77774 9.79029 numMergedOcc 0
9 mol 85 unq 1 iso 1 dist 6.56288 14.8394 9.77774 9.3414 3.65628 9.79029 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 5.97559 8.175 5.37869 9.3414 4.05415 3.78063 numMergedOcc 0
11 mol 85 unq 2 iso 1 dist 5.97559 9.3414 4.05415 8.175 5.37869 3.78063 numMergedOcc 0
12 mol 85 unq 3 iso 0 dist 5.97559 8.175 5.37869 14.8394 9.97944 13.0538 numMergedOcc 0
13 mol 85 unq 3 iso 1 dist 5.97559 14.8394 9.97944 8.175 5.37869 13.0538 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 5.97559 9.3414 4.05415 14.8394 9.97944 9.79029 numMergedOcc 0
15 mol 85 unq 3 iso 1 dist 5.97559 14.8394 9.97944 9.3414 4.05415 9.79029 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 5.96189 8.99253 8.28591 3.78587 5.35008 5.21654 numMergedOcc 0
17 mol 93 unq 0 iso 1 dist 5.96189 3.78587 5.35008 8.99253 8.28591 5.21654 numMergedOcc 0
18 mol 93 unq 1 iso 0 dist 5.96189 8.99253 8.28591 10.5386 8.30921 13.3531 numMergedOcc 0
19 mol 93 unq 1 iso 1 dist 5.96189 10.5386 8.30921 8.99253 8.28591 13.3531 numMergedOcc 0
20 mol 93 unq 1 iso 0 dist 5.96189 3.78587 5.35008 10.5386 8.30921 10.7398 numMergedOcc 0
21 mol 93 unq 1 iso 1 dist 5.96189 10.5386 8.30921 3.78587 5.35008 10.7398 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 4.81841 3.84897 4.3439 5.78182 6.05855 6.27231 numMergedOcc 0
23 mol 95 unq 0 iso 1 dist 4.81841 5.78182 6.05855 3.84897 4.3439 6.27231 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 6.91764 5.72704 7.36794 5.72963 5.81881 6.09215 numMergedOcc 0
25 mol 186 unq 0 iso 1 dist 6.91764 5.72963 5.81881 5.72704 7.36794 6.09215 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 4.55528 8.22995 4.45769 12.3429 8.99961 6.41254 numMergedOcc 0
27 mol 194 unq 0 iso 1 dist 4.55528 12.3429 8.99961 8.22995 4.45769 6.41254 numMergedOcc 0
28 mol 194 unq 1 iso 0 dist 4.42095 8.22995 5.89939 12.3429 8.18853 6.41254 numMergedOcc 0
29 mol 194 unq 1 iso 1 dist 4.42095 12.3429 8.18853 8.22995 5.89939 6.41254 numMergedOcc 0
30 mol 194 unq 2 iso 0 dist 6.88386 7.39897 4.45769 10.3177 8.99961 6.41254 numMergedOcc 0
31 mol 194 unq 2 iso 1 dist 6.88386 10.3177 8.99961 7.39897 4.45769 6.41254 numMergedOcc 0
32 mol 194 unq 3 iso 0 dist 4.63898 7.39897 5.89939 10.3177 8.18853 6.41254 numMergedOcc 0
33 mol 194 unq 3 iso 1 dist 4.63898 10.3177 8.18853 7.39897 5.89939 6.41254 numMergedOcc 0
34 mol 194 unq 4 iso 0 dist 9.53641 15.1388 5.89939 14.9856 8.18853 6.41254 numMergedOcc 0
35 mol 194 unq 4 iso 1 dist 9.53641 14.9856 8.18853 15.1388 5.89939 6.41254 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 8.7917 10.2527 6.39673 9.47138 7.80676 8.10209 numMergedOcc 0
37 mol 222 unq 0 iso 1 dist 8.7917 9.47138 7.80676 10.2527 6.39673 8.10209 numMergedOcc 0
38 mol 287 unq 0 iso 0 dist 9.03468 6.05528 8.06767 13.0121 9.91087 13.523 numMergedOcc 0
39 mol 287 unq 0 iso 1 dist 9.03468 13.0121 9.91087 6.05528 8.06767 13.523 numMergedOcc 0
40 mol 287 unq 1 iso 0 dist 6.05363 11.2805 8.06767 6.24038 9.91087 13.523 numMergedOcc 0
41 mol 287 unq 1 iso 1 dist 6.05363 6.24038 9.91087 11.2805 8.06767 13.523 numMergedOcc 0
42 mol 288 unq 0 iso 0 dist 9.03468 6.05528 8.06767 13.0121 9.91087 13.523 numMergedOcc 0
43 mol 288 unq 0 iso 1 dist 9.03468 13.0121 9.91087 6.05528 8.06767 13.523 numMergedOcc 0
44 mol 288 unq 1 iso 0 dist 6.05363 11.2805 8.06767 6.24038 9.91087 13.523 numMergedOcc 0
45 mol 288 unq 1 iso 1 dist 6.05363 6.24038 9.91087 11.2805 8.06767 13.523 numMergedOcc 0
46 mol 289 unq 0 iso 0 dist 9.03468 6.05528 8.06767 13.0121 9.91087 13.523 numMergedOcc 0
47 mol 289 unq 0 iso 1 dist 9.03468 13.0121 9.91087 6.05528 8.06767 13.523 numMergedOcc 0
48 mol 289 unq 1 iso 0 dist 6.05363 11.2805 8.06767 6.24038 9.91087 13.523 numMergedOcc 0
49 mol 289 unq 1 iso 1 dist 6.05363 6.24038 9.91087 11.2805 8.06767 13.523 numMergedOcc 0
