0 mol 0 unq 0 iso 0 dist 9.99338 14.9294 8.13129 14.2251 6.15923 5.08793 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 8.13129 14.9294 9.99338 5.08793 6.15923 14.2251 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 9.99338 15.247 9.07223 14.2251 6.15923 10.4498 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 9.07223 15.247 9.99338 10.4498 6.15923 14.2251 numMergedOcc 0
4 mol 0 unq 1 iso 0 dist 8.13129 7.19817 9.07223 5.08793 6.15923 10.4498 numMergedOcc 0
5 mol 0 unq 1 iso 1 dist 9.07223 7.19817 8.13129 10.4498 6.15923 5.08793 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 6.79837 5.06358 8.07369 5.16837 6.19737 6.20124 numMergedOcc 0
7 mol 9 unq 0 iso 1 dist 8.07369 5.06358 6.79837 6.20124 6.19737 5.16837 numMergedOcc 0
8 mol 15 unq 0 iso 0 dist 7.876 5.17568 8.63502 6.29685 9.85515 11.2052 numMergedOcc 0
9 mol 15 unq 0 iso 1 dist 8.63502 5.17568 7.876 11.2052 9.85515 6.29685 numMergedOcc 0
10 mol 15 unq 1 iso 0 dist 7.876 5.17568 8.63502 5.90976 9.90484 5.51916 numMergedOcc 0
11 mol 15 unq 1 iso 1 dist 8.63502 5.17568 7.876 5.51916 9.90484 5.90976 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 7.56581 5.08001 9.22021 6.91765 9.34242 5.06052 numMergedOcc 0
13 mol 54 unq 0 iso 1 dist 9.22021 5.08001 7.56581 5.06052 9.34242 6.91765 numMergedOcc 0
14 mol 88 unq 0 iso 0 dist 9.30559 13.5016 5.96359 14.5201 8.39494 4.37348 numMergedOcc 0
15 mol 88 unq 0 iso 1 dist 5.96359 13.5016 9.30559 4.37348 8.39494 14.5201 numMergedOcc 0
16 mol 88 unq 1 iso 0 dist 9.30559 13.5016 5.96359 6.01133 7.7118 9.50212 numMergedOcc 0
17 mol 88 unq 1 iso 1 dist 5.96359 13.5016 9.30559 9.50212 7.7118 6.01133 numMergedOcc 0
18 mol 88 unq 2 iso 0 dist 9.30559 11.8813 7.48974 14.5201 8.39494 7.82202 numMergedOcc 0
19 mol 88 unq 2 iso 1 dist 7.48974 11.8813 9.30559 7.82202 8.39494 14.5201 numMergedOcc 0
20 mol 88 unq 3 iso 0 dist 9.30559 11.8813 7.48974 6.01133 7.7118 6.36868 numMergedOcc 0
21 mol 88 unq 3 iso 1 dist 7.48974 11.8813 9.30559 6.36868 7.7118 6.01133 numMergedOcc 0
22 mol 88 unq 4 iso 0 dist 9.30559 11.6198 8.40428 14.5201 8.39494 12.3499 numMergedOcc 0
23 mol 88 unq 4 iso 1 dist 8.40428 11.6198 9.30559 12.3499 8.39494 14.5201 numMergedOcc 0
24 mol 88 unq 5 iso 0 dist 9.30559 11.6198 8.40428 6.01133 7.7118 6.75274 numMergedOcc 0
25 mol 88 unq 5 iso 1 dist 8.40428 11.6198 9.30559 6.75274 7.7118 6.01133 numMergedOcc 0
26 mol 88 unq 6 iso 0 dist 6.066 5.57085 9.36032 5.90098 9.64465 4.58465 numMergedOcc 0
27 mol 88 unq 6 iso 1 dist 9.36032 5.57085 6.066 4.58465 9.64465 5.90098 numMergedOcc 0
28 mol 88 unq 7 iso 0 dist 6.066 5.57085 9.36032 6.95868 8.01572 6.97239 numMergedOcc 0
29 mol 88 unq 7 iso 1 dist 9.36032 5.57085 6.066 6.97239 8.01572 6.95868 numMergedOcc 0
30 mol 88 unq 8 iso 0 dist 6.066 9.94966 8.3592 5.90098 9.64465 14.227 numMergedOcc 0
31 mol 88 unq 8 iso 1 dist 8.3592 9.94966 6.066 14.227 9.64465 5.90098 numMergedOcc 0
32 mol 88 unq 9 iso 0 dist 6.066 9.94966 8.3592 6.95868 8.01572 4.37348 numMergedOcc 0
33 mol 88 unq 9 iso 1 dist 8.3592 9.94966 6.066 4.37348 8.01572 6.95868 numMergedOcc 0
34 mol 88 unq 8 iso 0 dist 9.36032 10.9968 8.3592 4.58465 9.64465 14.227 numMergedOcc 0
35 mol 88 unq 8 iso 1 dist 8.3592 10.9968 9.36032 14.227 9.64465 4.58465 numMergedOcc 0
36 mol 88 unq 9 iso 0 dist 9.36032 10.9968 8.3592 6.97239 8.01572 4.37348 numMergedOcc 0
37 mol 88 unq 9 iso 1 dist 8.3592 10.9968 9.36032 4.37348 8.01572 6.97239 numMergedOcc 0
38 mol 88 unq 2 iso 0 dist 5.96359 4.96064 7.48974 4.37348 8.39494 7.82202 numMergedOcc 0
39 mol 88 unq 2 iso 1 dist 7.48974 4.96064 5.96359 7.82202 8.39494 4.37348 numMergedOcc 0
40 mol 88 unq 3 iso 0 dist 5.96359 4.96064 7.48974 9.50212 7.7118 6.36868 numMergedOcc 0
41 mol 88 unq 3 iso 1 dist 7.48974 4.96064 5.96359 6.36868 7.7118 9.50212 numMergedOcc 0
42 mol 88 unq 4 iso 0 dist 5.96359 8.62396 8.40428 4.37348 8.39494 12.3499 numMergedOcc 0
43 mol 88 unq 4 iso 1 dist 8.40428 8.62396 5.96359 12.3499 8.39494 4.37348 numMergedOcc 0
44 mol 88 unq 5 iso 0 dist 5.96359 8.62396 8.40428 9.50212 7.7118 6.75274 numMergedOcc 0
45 mol 88 unq 5 iso 1 dist 8.40428 8.62396 5.96359 6.75274 7.7118 9.50212 numMergedOcc 0
46 mol 88 unq 4 iso 0 dist 7.48974 5.05664 8.40428 7.82202 8.39494 12.3499 numMergedOcc 0
47 mol 88 unq 4 iso 1 dist 8.40428 5.05664 7.48974 12.3499 8.39494 7.82202 numMergedOcc 0
48 mol 88 unq 5 iso 0 dist 7.48974 5.05664 8.40428 6.36868 7.7118 6.75274 numMergedOcc 0
49 mol 88 unq 5 iso 1 dist 8.40428 5.05664 7.48974 6.75274 7.7118 6.36868 numMergedOcc 0
50 mol 127 unq 0 iso 0 dist 5.72373 5.55757 7.20988 4.77464 6.11979 7.11695 numMergedOcc 0
51 mol 127 unq 0 iso 1 dist 7.20988 5.55757 5.72373 7.11695 6.11979 4.77464 numMergedOcc 0
52 mol 213 unq 0 iso 0 dist 8.29133 5.45334 8.96646 12.2579 5.18463 13.2686 numMergedOcc 0
53 mol 213 unq 0 iso 1 dist 8.96646 5.45334 8.29133 13.2686 5.18463 12.2579 numMergedOcc 0
54 mol 213 unq 1 iso 0 dist 8.29133 5.45334 8.96646 15.28 7.06118 15.6315 numMergedOcc 0
55 mol 213 unq 1 iso 1 dist 8.96646 5.45334 8.29133 15.6315 7.06118 15.28 numMergedOcc 0
56 mol 219 unq 0 iso 0 dist 5.40597 7.02195 7.66784 4.74167 5.55804 4.9853 numMergedOcc 0
57 mol 219 unq 0 iso 1 dist 7.66784 7.02195 5.40597 4.9853 5.55804 4.74167 numMergedOcc 0
58 mol 219 unq 1 iso 0 dist 5.40597 7.02195 7.66784 11.4067 7.8726 7.97735 numMergedOcc 0
59 mol 219 unq 1 iso 1 dist 7.66784 7.02195 5.40597 7.97735 7.8726 11.4067 numMergedOcc 0
60 mol 219 unq 2 iso 0 dist 5.40597 13.4387 8.69579 4.74167 5.55804 11.0147 numMergedOcc 0
61 mol 219 unq 2 iso 1 dist 8.69579 13.4387 5.40597 11.0147 5.55804 4.74167 numMergedOcc 0
62 mol 219 unq 3 iso 0 dist 5.40597 13.4387 8.69579 11.4067 7.8726 4.52622 numMergedOcc 0
63 mol 219 unq 3 iso 1 dist 8.69579 13.4387 5.40597 4.52622 7.8726 11.4067 numMergedOcc 0
64 mol 219 unq 4 iso 0 dist 5.40597 10.8119 6.71733 4.74167 5.55804 7.87195 numMergedOcc 0
65 mol 219 unq 4 iso 1 dist 6.71733 10.8119 5.40597 7.87195 5.55804 4.74167 numMergedOcc 0
66 mol 219 unq 5 iso 0 dist 5.40597 10.8119 6.71733 11.4067 7.8726 5.13707 numMergedOcc 0
67 mol 219 unq 5 iso 1 dist 6.71733 10.8119 5.40597 5.13707 7.8726 11.4067 numMergedOcc 0
68 mol 219 unq 2 iso 0 dist 7.66784 10.7348 8.69579 4.9853 5.55804 11.0147 numMergedOcc 0
69 mol 219 unq 2 iso 1 dist 8.69579 10.7348 7.66784 11.0147 5.55804 4.9853 numMergedOcc 0
70 mol 219 unq 3 iso 0 dist 7.66784 10.7348 8.69579 7.97735 7.8726 4.52622 numMergedOcc 0
71 mol 219 unq 3 iso 1 dist 8.69579 10.7348 7.66784 4.52622 7.8726 7.97735 numMergedOcc 0
72 mol 219 unq 4 iso 0 dist 7.66784 10.6748 6.71733 4.9853 5.55804 7.87195 numMergedOcc 0
73 mol 219 unq 4 iso 1 dist 6.71733 10.6748 7.66784 7.87195 5.55804 4.9853 numMergedOcc 0
74 mol 219 unq 5 iso 0 dist 7.66784 10.6748 6.71733 7.97735 7.8726 5.13707 numMergedOcc 0
75 mol 219 unq 5 iso 1 dist 6.71733 10.6748 7.66784 5.13707 7.8726 7.97735 numMergedOcc 0
76 mol 219 unq 4 iso 0 dist 8.69579 6.74494 6.71733 11.0147 5.55804 7.87195 numMergedOcc 0
77 mol 219 unq 4 iso 1 dist 6.71733 6.74494 8.69579 7.87195 5.55804 11.0147 numMergedOcc 0
78 mol 219 unq 5 iso 0 dist 8.69579 6.74494 6.71733 4.52622 7.8726 5.13707 numMergedOcc 0
79 mol 219 unq 5 iso 1 dist 6.71733 6.74494 8.69579 5.13707 7.8726 4.52622 numMergedOcc 0
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81 mol 225 unq 0 iso 1 dist 9.31373 12.0157 8.25629 7.12954 5.74825 7.97944 numMergedOcc 0
82 mol 225 unq 1 iso 0 dist 8.25629 16.718 9.20561 7.97944 5.74825 11.8629 numMergedOcc 0
83 mol 225 unq 1 iso 1 dist 9.20561 16.718 8.25629 11.8629 5.74825 7.97944 numMergedOcc 0
84 mol 225 unq 2 iso 0 dist 8.25629 12.5593 9.88976 7.97944 5.74825 14.2819 numMergedOcc 0
85 mol 225 unq 2 iso 1 dist 9.88976 12.5593 8.25629 14.2819 5.74825 7.97944 numMergedOcc 0
86 mol 225 unq 1 iso 0 dist 9.31373 15.3446 9.20561 7.12954 5.74825 11.8629 numMergedOcc 0
87 mol 225 unq 1 iso 1 dist 9.20561 15.3446 9.31373 11.8629 5.74825 7.12954 numMergedOcc 0
88 mol 225 unq 2 iso 0 dist 9.31373 13.3965 9.88976 7.12954 5.74825 14.2819 numMergedOcc 0
89 mol 225 unq 2 iso 1 dist 9.88976 13.3965 9.31373 14.2819 5.74825 7.12954 numMergedOcc 0
90 mol 225 unq 2 iso 0 dist 9.20561 16.5576 9.88976 11.8629 5.74825 14.2819 numMergedOcc 0
91 mol 225 unq 2 iso 1 dist 9.88976 16.5576 9.20561 14.2819 5.74825 11.8629 numMergedOcc 0
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93 mol 229 unq 0 iso 1 dist 7.38552 7.9315 7.77578 4.45935 9.42987 5.79991 numMergedOcc 0
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95 mol 234 unq 0 iso 1 dist 6.35438 5.88703 7.72403 5.56749 9.76304 10.6156 numMergedOcc 0
96 mol 234 unq 1 iso 0 dist 7.72403 5.88703 6.35438 15.0456 8.83027 12.1076 numMergedOcc 0
97 mol 234 unq 1 iso 1 dist 6.35438 5.88703 7.72403 12.1076 8.83027 15.0456 numMergedOcc 0
98 mol 234 unq 2 iso 0 dist 7.72403 15.2225 9.57132 10.6156 9.76304 8.0608 numMergedOcc 0
99 mol 234 unq 2 iso 1 dist 9.57132 15.2225 7.72403 8.0608 9.76304 10.6156 numMergedOcc 0
100 mol 234 unq 3 iso 0 dist 7.72403 15.2225 9.57132 15.0456 8.83027 6.29366 numMergedOcc 0
101 mol 234 unq 3 iso 1 dist 9.57132 15.2225 7.72403 6.29366 8.83027 15.0456 numMergedOcc 0
102 mol 234 unq 2 iso 0 dist 6.35438 10.2693 9.57132 5.56749 9.76304 8.0608 numMergedOcc 0
103 mol 234 unq 2 iso 1 dist 9.57132 10.2693 6.35438 8.0608 9.76304 5.56749 numMergedOcc 0
104 mol 234 unq 3 iso 0 dist 6.35438 10.2693 9.57132 12.1076 8.83027 6.29366 numMergedOcc 0
105 mol 234 unq 3 iso 1 dist 9.57132 10.2693 6.35438 6.29366 8.83027 12.1076 numMergedOcc 0
106 mol 239 unq 0 iso 0 dist 9.1242 6.68485 7.61762 15.8644 9.95624 9.9012 numMergedOcc 0
107 mol 239 unq 0 iso 1 dist 7.61762 6.68485 9.1242 9.9012 9.95624 15.8644 numMergedOcc 0
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109 mol 248 unq 0 iso 1 dist 6.51383 5.86196 9.12664 9.29921 8.79594 5.51827 numMergedOcc 0
110 mol 270 unq 0 iso 0 dist 8.34847 10.6327 9.73905 5.92046 8.99244 15.1125 numMergedOcc 0
111 mol 270 unq 0 iso 1 dist 9.73905 10.6327 8.34847 15.1125 8.99244 5.92046 numMergedOcc 0
112 mol 270 unq 1 iso 0 dist 8.34847 10.6327 9.73905 6.88143 7.8423 14.4924 numMergedOcc 0
113 mol 270 unq 1 iso 1 dist 9.73905 10.6327 8.34847 14.4924 7.8423 6.88143 numMergedOcc 0
