0 mol 9 unq 0 iso 0 dist 8.01055 4.75533 7.48843 5.85081 4.07023 5.47 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 8.01055 5.85081 4.07023 4.75533 7.48843 5.47 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.61976 4.75533 9.95911 5.85081 7.19188 5.47 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 8.61976 5.85081 7.19188 4.75533 9.95911 5.47 numMergedOcc 0
4 mol 10 unq 0 iso 0 dist 9.29504 7.83083 15.0188 6.90469 12.4341 3.3748 numMergedOcc 0
5 mol 10 unq 0 iso 1 dist 9.29504 6.90469 12.4341 7.83083 15.0188 3.3748 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 5.85737 8.11143 4.19221 8.9776 8.0288 7.83805 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 5.85737 8.9776 8.0288 8.11143 4.19221 7.83805 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 9.53081 5.43913 13.4515 8.26877 17.6258 5.62671 numMergedOcc 0
9 mol 48 unq 0 iso 1 dist 9.53081 8.26877 17.6258 5.43913 13.4515 5.62671 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 6.54194 9.93747 6.87984 9.39265 3.63624 4.5481 numMergedOcc 0
11 mol 78 unq 0 iso 1 dist 6.54194 9.39265 3.63624 9.93747 6.87984 4.5481 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 8.64686 6.65972 4.13187 4.2253 9.13196 5.63083 numMergedOcc 0
13 mol 79 unq 0 iso 1 dist 8.64686 4.2253 9.13196 6.65972 4.13187 5.63083 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 6.53824 9.12145 4.82514 8.11048 5.7646 7.59881 numMergedOcc 0
15 mol 116 unq 0 iso 1 dist 6.53824 8.11048 5.7646 9.12145 4.82514 7.59881 numMergedOcc 0
16 mol 116 unq 1 iso 0 dist 6.61973 9.12145 8.63935 8.11048 4.10222 7.59881 numMergedOcc 0
17 mol 116 unq 1 iso 1 dist 6.61973 8.11048 4.10222 9.12145 8.63935 7.59881 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 7.6453 4.4077 6.61102 8.4874 9.0678 5.83342 numMergedOcc 0
19 mol 129 unq 0 iso 1 dist 7.6453 8.4874 9.0678 4.4077 6.61102 5.83342 numMergedOcc 0
20 mol 165 unq 0 iso 0 dist 6.85551 9.98689 6.21834 5.93144 11.5982 15.5252 numMergedOcc 0
21 mol 165 unq 0 iso 1 dist 6.85551 5.93144 11.5982 9.98689 6.21834 15.5252 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 9.52029 9.41594 9.47121 9.92651 11.8097 4.97009 numMergedOcc 0
23 mol 204 unq 0 iso 1 dist 9.52029 9.92651 11.8097 9.41594 9.47121 4.97009 numMergedOcc 0
24 mol 211 unq 0 iso 0 dist 5.6998 5.49212 3.65651 9.79135 6.99357 5.04634 numMergedOcc 0
25 mol 211 unq 0 iso 1 dist 5.6998 9.79135 6.99357 5.49212 3.65651 5.04634 numMergedOcc 0
26 mol 254 unq 0 iso 0 dist 9.54511 5.83039 5.9731 6.74364 3.69576 2.67738 numMergedOcc 0
27 mol 254 unq 0 iso 1 dist 9.54511 6.74364 3.69576 5.83039 5.9731 2.67738 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 8.15119 4.1545 9.21484 4.25172 10.3506 3.41319 numMergedOcc 0
29 mol 277 unq 0 iso 1 dist 8.15119 4.25172 10.3506 4.1545 9.21484 3.41319 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 7.872 7.08681 11.2722 4.95596 9.22192 11.9982 numMergedOcc 0
31 mol 285 unq 0 iso 1 dist 7.872 4.95596 9.22192 7.08681 11.2722 11.9982 numMergedOcc 0
32 mol 285 unq 1 iso 0 dist 7.872 7.08681 11.2722 6.3508 8.37376 11.9803 numMergedOcc 0
33 mol 285 unq 1 iso 1 dist 7.872 6.3508 8.37376 7.08681 11.2722 11.9803 numMergedOcc 0
34 mol 285 unq 2 iso 0 dist 7.872 7.08681 11.2722 8.3005 6.76283 14.1264 numMergedOcc 0
35 mol 285 unq 2 iso 1 dist 7.872 8.3005 6.76283 7.08681 11.2722 14.1264 numMergedOcc 0
36 mol 285 unq 1 iso 0 dist 7.872 4.95596 9.22192 6.3508 8.37376 4.87372 numMergedOcc 0
37 mol 285 unq 1 iso 1 dist 7.872 6.3508 8.37376 4.95596 9.22192 4.87372 numMergedOcc 0
38 mol 285 unq 2 iso 0 dist 7.872 4.95596 9.22192 8.3005 6.76283 6.95388 numMergedOcc 0
39 mol 285 unq 2 iso 1 dist 7.872 8.3005 6.76283 4.95596 9.22192 6.95388 numMergedOcc 0
40 mol 285 unq 2 iso 0 dist 7.872 6.3508 8.37376 8.3005 6.76283 9.46838 numMergedOcc 0
41 mol 285 unq 2 iso 1 dist 7.872 8.3005 6.76283 6.3508 8.37376 9.46838 numMergedOcc 0
42 mol 285 unq 3 iso 0 dist 6.32984 7.08681 3.57803 4.95596 11.1099 11.9982 numMergedOcc 0
43 mol 285 unq 3 iso 1 dist 6.32984 4.95596 11.1099 7.08681 3.57803 11.9982 numMergedOcc 0
44 mol 285 unq 4 iso 0 dist 6.32984 7.08681 3.57803 6.3508 11.5761 11.9803 numMergedOcc 0
45 mol 285 unq 4 iso 1 dist 6.32984 6.3508 11.5761 7.08681 3.57803 11.9803 numMergedOcc 0
46 mol 285 unq 5 iso 0 dist 6.32984 7.08681 3.57803 8.3005 11.5053 14.1264 numMergedOcc 0
47 mol 285 unq 5 iso 1 dist 6.32984 8.3005 11.5053 7.08681 3.57803 14.1264 numMergedOcc 0
48 mol 285 unq 4 iso 0 dist 6.32984 4.95596 11.1099 6.3508 11.5761 4.87372 numMergedOcc 0
49 mol 285 unq 4 iso 1 dist 6.32984 6.3508 11.5761 4.95596 11.1099 4.87372 numMergedOcc 0
50 mol 285 unq 5 iso 0 dist 6.32984 4.95596 11.1099 8.3005 11.5053 6.95388 numMergedOcc 0
51 mol 285 unq 5 iso 1 dist 6.32984 8.3005 11.5053 4.95596 11.1099 6.95388 numMergedOcc 0
52 mol 285 unq 5 iso 0 dist 6.32984 6.3508 11.5761 8.3005 11.5053 9.46838 numMergedOcc 0
53 mol 285 unq 5 iso 1 dist 6.32984 8.3005 11.5053 6.3508 11.5761 9.46838 numMergedOcc 0
54 mol 287 unq 0 iso 0 dist 8.40726 9.77996 4.80377 6.61308 3.91371 4.64789 numMergedOcc 0
55 mol 287 unq 0 iso 1 dist 8.40726 6.61308 3.91371 9.77996 4.80377 4.64789 numMergedOcc 0
56 mol 287 unq 1 iso 0 dist 8.40726 9.77996 4.80377 6.25845 8.01657 11.3248 numMergedOcc 0
57 mol 287 unq 1 iso 1 dist 8.40726 6.25845 8.01657 9.77996 4.80377 11.3248 numMergedOcc 0
58 mol 287 unq 1 iso 0 dist 8.40726 6.61308 3.91371 6.25845 8.01657 6.88737 numMergedOcc 0
59 mol 287 unq 1 iso 1 dist 8.40726 6.25845 8.01657 6.61308 3.91371 6.88737 numMergedOcc 0
60 mol 287 unq 2 iso 0 dist 5.15923 9.77996 8.69518 6.61308 4.11753 4.64789 numMergedOcc 0
61 mol 287 unq 2 iso 1 dist 5.15923 6.61308 4.11753 9.77996 8.69518 4.64789 numMergedOcc 0
62 mol 287 unq 3 iso 0 dist 5.15923 9.77996 8.69518 6.25845 4.00861 11.3248 numMergedOcc 0
63 mol 287 unq 3 iso 1 dist 5.15923 6.25845 4.00861 9.77996 8.69518 11.3248 numMergedOcc 0
64 mol 287 unq 3 iso 0 dist 5.15923 6.61308 4.11753 6.25845 4.00861 6.88737 numMergedOcc 0
65 mol 287 unq 3 iso 1 dist 5.15923 6.25845 4.00861 6.61308 4.11753 6.88737 numMergedOcc 0
66 mol 288 unq 0 iso 0 dist 8.40726 9.77996 4.80377 6.61308 3.91371 4.64789 numMergedOcc 0
67 mol 288 unq 0 iso 1 dist 8.40726 6.61308 3.91371 9.77996 4.80377 4.64789 numMergedOcc 0
68 mol 288 unq 1 iso 0 dist 8.40726 9.77996 4.80377 6.25845 8.01657 11.3248 numMergedOcc 0
69 mol 288 unq 1 iso 1 dist 8.40726 6.25845 8.01657 9.77996 4.80377 11.3248 numMergedOcc 0
70 mol 288 unq 1 iso 0 dist 8.40726 6.61308 3.91371 6.25845 8.01657 6.88737 numMergedOcc 0
71 mol 288 unq 1 iso 1 dist 8.40726 6.25845 8.01657 6.61308 3.91371 6.88737 numMergedOcc 0
72 mol 288 unq 2 iso 0 dist 5.15923 9.77996 8.69518 6.61308 4.11753 4.64789 numMergedOcc 0
73 mol 288 unq 2 iso 1 dist 5.15923 6.61308 4.11753 9.77996 8.69518 4.64789 numMergedOcc 0
74 mol 288 unq 3 iso 0 dist 5.15923 9.77996 8.69518 6.25845 4.00861 11.3248 numMergedOcc 0
75 mol 288 unq 3 iso 1 dist 5.15923 6.25845 4.00861 9.77996 8.69518 11.3248 numMergedOcc 0
76 mol 288 unq 3 iso 0 dist 5.15923 6.61308 4.11753 6.25845 4.00861 6.88737 numMergedOcc 0
77 mol 288 unq 3 iso 1 dist 5.15923 6.25845 4.00861 6.61308 4.11753 6.88737 numMergedOcc 0
78 mol 289 unq 0 iso 0 dist 8.40726 9.77996 4.80377 6.61308 3.91371 4.64789 numMergedOcc 0
79 mol 289 unq 0 iso 1 dist 8.40726 6.61308 3.91371 9.77996 4.80377 4.64789 numMergedOcc 0
80 mol 289 unq 1 iso 0 dist 8.40726 9.77996 4.80377 6.25845 8.01657 11.3248 numMergedOcc 0
81 mol 289 unq 1 iso 1 dist 8.40726 6.25845 8.01657 9.77996 4.80377 11.3248 numMergedOcc 0
82 mol 289 unq 1 iso 0 dist 8.40726 6.61308 3.91371 6.25845 8.01657 6.88737 numMergedOcc 0
83 mol 289 unq 1 iso 1 dist 8.40726 6.25845 8.01657 6.61308 3.91371 6.88737 numMergedOcc 0
84 mol 289 unq 2 iso 0 dist 5.15923 9.77996 8.69518 6.61308 4.11753 4.64789 numMergedOcc 0
85 mol 289 unq 2 iso 1 dist 5.15923 6.61308 4.11753 9.77996 8.69518 4.64789 numMergedOcc 0
86 mol 289 unq 3 iso 0 dist 5.15923 9.77996 8.69518 6.25845 4.00861 11.3248 numMergedOcc 0
87 mol 289 unq 3 iso 1 dist 5.15923 6.25845 4.00861 9.77996 8.69518 11.3248 numMergedOcc 0
88 mol 289 unq 3 iso 0 dist 5.15923 6.61308 4.11753 6.25845 4.00861 6.88737 numMergedOcc 0
89 mol 289 unq 3 iso 1 dist 5.15923 6.25845 4.00861 6.61308 4.11753 6.88737 numMergedOcc 0
