0 mol 58 unq 0 iso 0 dist 9.97769 5.23069 9.32706 10.3598 8.13051 6.00578 7.40296 6.87028 5.89202 5.36808 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 9.32706 5.23069 9.97769 6.00578 8.13051 10.3598 5.89202 6.87028 7.40296 5.36808 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 9.97769 7.5247 9.08221 10.3598 8.13051 11.6697 7.40296 6.87028 6.37648 5.36808 numMergedOcc 0
3 mol 58 unq 1 iso 1 dist 9.08221 7.5247 9.97769 11.6697 8.13051 10.3598 6.37648 6.87028 7.40296 5.36808 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 9.32706 10.0658 9.08221 6.00578 8.13051 11.6697 5.89202 6.87028 6.37648 5.36808 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 9.08221 10.0658 9.32706 11.6697 8.13051 6.00578 6.37648 6.87028 5.89202 5.36808 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.10496 9.51923 5.92242 8.70415 6.61111 9.74284 7.32662 8.75597 13.4985 13.6622 numMergedOcc 0
7 mol 98 unq 0 iso 1 dist 5.92242 9.51923 5.10496 9.74284 6.61111 8.70415 13.4985 8.75597 7.32662 13.6622 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.10496 9.51923 5.92242 8.70415 6.61111 9.74284 12.3881 9.18457 7.89505 6.34014 numMergedOcc 0
9 mol 98 unq 1 iso 1 dist 5.92242 9.51923 5.10496 9.74284 6.61111 8.70415 7.89505 9.18457 12.3881 6.34014 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 5.10496 8.40073 5.2571 8.70415 6.61111 10.0962 7.32662 8.75597 6.934 13.6622 numMergedOcc 0
11 mol 98 unq 2 iso 1 dist 5.2571 8.40073 5.10496 10.0962 6.61111 8.70415 6.934 8.75597 7.32662 13.6622 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 5.10496 8.40073 5.2571 8.70415 6.61111 10.0962 12.3881 9.18457 13.1975 6.34014 numMergedOcc 0
13 mol 98 unq 3 iso 1 dist 5.2571 8.40073 5.10496 10.0962 6.61111 8.70415 13.1975 9.18457 12.3881 6.34014 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 5.10496 10.2427 8.7497 8.70415 6.61111 11.2452 7.32662 8.75597 7.17433 13.6622 numMergedOcc 0
15 mol 98 unq 4 iso 1 dist 8.7497 10.2427 5.10496 11.2452 6.61111 8.70415 7.17433 8.75597 7.32662 13.6622 numMergedOcc 0
16 mol 98 unq 5 iso 0 dist 5.10496 10.2427 8.7497 8.70415 6.61111 11.2452 12.3881 9.18457 15.9953 6.34014 numMergedOcc 0
17 mol 98 unq 5 iso 1 dist 8.7497 10.2427 5.10496 11.2452 6.61111 8.70415 15.9953 9.18457 12.3881 6.34014 numMergedOcc 0
18 mol 98 unq 6 iso 0 dist 9.64383 13.659 7.54889 12.0058 4.44979 10.0962 8.76845 6.83746 13.9572 5.92812 numMergedOcc 0
19 mol 98 unq 6 iso 1 dist 7.54889 13.659 9.64383 10.0962 4.44979 12.0058 13.9572 6.83746 8.76845 5.92812 numMergedOcc 0
20 mol 98 unq 7 iso 0 dist 9.64383 13.659 7.54889 12.0058 4.44979 10.0962 11.7715 9.14707 13.1975 6.34014 numMergedOcc 0
21 mol 98 unq 7 iso 1 dist 7.54889 13.659 9.64383 10.0962 4.44979 12.0058 13.1975 9.14707 11.7715 6.34014 numMergedOcc 0
22 mol 98 unq 8 iso 0 dist 9.64383 14.591 7.78931 12.0058 4.44979 11.2452 8.76845 6.83746 14.5341 5.92812 numMergedOcc 0
23 mol 98 unq 8 iso 1 dist 7.78931 14.591 9.64383 11.2452 4.44979 12.0058 14.5341 6.83746 8.76845 5.92812 numMergedOcc 0
24 mol 98 unq 9 iso 0 dist 9.64383 14.591 7.78931 12.0058 4.44979 11.2452 11.7715 9.14707 15.9953 6.34014 numMergedOcc 0
25 mol 98 unq 9 iso 1 dist 7.78931 14.591 9.64383 11.2452 4.44979 12.0058 15.9953 9.14707 11.7715 6.34014 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 5.92242 9.42358 5.2571 9.74284 6.61111 10.0962 13.4985 8.75597 6.934 13.6622 numMergedOcc 0
27 mol 98 unq 2 iso 1 dist 5.2571 9.42358 5.92242 10.0962 6.61111 9.74284 6.934 8.75597 13.4985 13.6622 numMergedOcc 0
28 mol 98 unq 3 iso 0 dist 5.92242 9.42358 5.2571 9.74284 6.61111 10.0962 7.89505 9.18457 13.1975 6.34014 numMergedOcc 0
29 mol 98 unq 3 iso 1 dist 5.2571 9.42358 5.92242 10.0962 6.61111 9.74284 13.1975 9.18457 7.89505 6.34014 numMergedOcc 0
30 mol 98 unq 4 iso 0 dist 5.92242 13.9786 8.7497 9.74284 6.61111 11.2452 13.4985 8.75597 7.17433 13.6622 numMergedOcc 0
31 mol 98 unq 4 iso 1 dist 8.7497 13.9786 5.92242 11.2452 6.61111 9.74284 7.17433 8.75597 13.4985 13.6622 numMergedOcc 0
32 mol 98 unq 5 iso 0 dist 5.92242 13.9786 8.7497 9.74284 6.61111 11.2452 7.89505 9.18457 15.9953 6.34014 numMergedOcc 0
33 mol 98 unq 5 iso 1 dist 8.7497 13.9786 5.92242 11.2452 6.61111 9.74284 15.9953 9.18457 7.89505 6.34014 numMergedOcc 0
34 mol 98 unq 8 iso 0 dist 7.54889 5.02887 7.78931 10.0962 4.44979 11.2452 13.9572 6.83746 14.5341 5.92812 numMergedOcc 0
35 mol 98 unq 8 iso 1 dist 7.78931 5.02887 7.54889 11.2452 4.44979 10.0962 14.5341 6.83746 13.9572 5.92812 numMergedOcc 0
36 mol 98 unq 9 iso 0 dist 7.54889 5.02887 7.78931 10.0962 4.44979 11.2452 13.1975 9.14707 15.9953 6.34014 numMergedOcc 0
37 mol 98 unq 9 iso 1 dist 7.78931 5.02887 7.54889 11.2452 4.44979 10.0962 15.9953 9.14707 13.1975 6.34014 numMergedOcc 0
38 mol 98 unq 4 iso 0 dist 5.2571 5.02887 8.7497 10.0962 6.61111 11.2452 6.934 8.75597 7.17433 13.6622 numMergedOcc 0
39 mol 98 unq 4 iso 1 dist 8.7497 5.02887 5.2571 11.2452 6.61111 10.0962 7.17433 8.75597 6.934 13.6622 numMergedOcc 0
40 mol 98 unq 5 iso 0 dist 5.2571 5.02887 8.7497 10.0962 6.61111 11.2452 13.1975 9.18457 15.9953 6.34014 numMergedOcc 0
41 mol 98 unq 5 iso 1 dist 8.7497 5.02887 5.2571 11.2452 6.61111 10.0962 15.9953 9.18457 13.1975 6.34014 numMergedOcc 0
42 mol 119 unq 0 iso 0 dist 8.95212 10.9871 6.99446 10.3457 6.13374 6.35763 13.52 9.57341 4.99056 11.1324 numMergedOcc 0
43 mol 119 unq 0 iso 1 dist 6.99446 10.9871 8.95212 6.35763 6.13374 10.3457 4.99056 9.57341 13.52 11.1324 numMergedOcc 0
44 mol 119 unq 1 iso 0 dist 8.95212 10.9871 6.99446 16.7975 9.08536 7.36192 13.52 9.57341 4.99056 8.96522 numMergedOcc 0
45 mol 119 unq 1 iso 1 dist 6.99446 10.9871 8.95212 7.36192 9.08536 16.7975 4.99056 9.57341 13.52 8.96522 numMergedOcc 0
46 mol 119 unq 2 iso 0 dist 8.95212 9.93257 7.64052 10.3457 6.13374 10.0197 13.52 9.57341 3.78311 11.1324 numMergedOcc 0
47 mol 119 unq 2 iso 1 dist 7.64052 9.93257 8.95212 10.0197 6.13374 10.3457 3.78311 9.57341 13.52 11.1324 numMergedOcc 0
48 mol 119 unq 3 iso 0 dist 8.95212 9.93257 7.64052 16.7975 9.08536 10.6679 13.52 9.57341 3.78311 8.96522 numMergedOcc 0
49 mol 119 unq 3 iso 1 dist 7.64052 9.93257 8.95212 10.6679 9.08536 16.7975 3.78311 9.57341 13.52 8.96522 numMergedOcc 0
50 mol 119 unq 2 iso 0 dist 6.99446 4.85907 7.64052 6.35763 6.13374 10.0197 4.99056 9.57341 3.78311 11.1324 numMergedOcc 0
51 mol 119 unq 2 iso 1 dist 7.64052 4.85907 6.99446 10.0197 6.13374 6.35763 3.78311 9.57341 4.99056 11.1324 numMergedOcc 0
52 mol 119 unq 3 iso 0 dist 6.99446 4.85907 7.64052 7.36192 9.08536 10.6679 4.99056 9.57341 3.78311 8.96522 numMergedOcc 0
53 mol 119 unq 3 iso 1 dist 7.64052 4.85907 6.99446 10.6679 9.08536 7.36192 3.78311 9.57341 4.99056 8.96522 numMergedOcc 0
54 mol 134 unq 0 iso 0 dist 6.42772 11.6064 9.1998 5.31077 6.44575 6.74887 11.7434 6.99345 5.12325 8.05714 numMergedOcc 0
55 mol 134 unq 0 iso 1 dist 9.1998 11.6064 6.42772 6.74887 6.44575 5.31077 5.12325 6.99345 11.7434 8.05714 numMergedOcc 0
56 mol 134 unq 1 iso 0 dist 6.42772 13.7309 8.70621 5.31077 6.44575 10.9715 11.7434 6.99345 6.02179 8.05714 numMergedOcc 0
57 mol 134 unq 1 iso 1 dist 8.70621 13.7309 6.42772 10.9715 6.44575 5.31077 6.02179 6.99345 11.7434 8.05714 numMergedOcc 0
58 mol 134 unq 2 iso 0 dist 9.33094 6.81259 8.69531 5.3585 7.43401 6.74887 9.4027 5.11043 5.12325 8.05714 numMergedOcc 0
59 mol 134 unq 2 iso 1 dist 8.69531 6.81259 9.33094 6.74887 7.43401 5.3585 5.12325 5.11043 9.4027 8.05714 numMergedOcc 0
60 mol 134 unq 1 iso 0 dist 9.1998 7.09823 8.70621 6.74887 6.44575 10.9715 5.12325 6.99345 6.02179 8.05714 numMergedOcc 0
61 mol 134 unq 1 iso 1 dist 8.70621 7.09823 9.1998 10.9715 6.44575 6.74887 6.02179 6.99345 5.12325 8.05714 numMergedOcc 0
62 mol 134 unq 3 iso 0 dist 5.35237 6.90348 7.99477 8.96357 6.57379 5.9915 6.02179 8.48313 10.9332 13.6926 numMergedOcc 0
63 mol 134 unq 3 iso 1 dist 7.99477 6.90348 5.35237 5.9915 6.57379 8.96357 10.9332 8.48313 6.02179 13.6926 numMergedOcc 0
64 mol 224 unq 0 iso 0 dist 8.08349 10.3613 9.78218 10.7113 5.73591 11.4252 4.59567 8.54702 9.48743 8.5129 numMergedOcc 0
65 mol 224 unq 0 iso 1 dist 9.78218 10.3613 8.08349 11.4252 5.73591 10.7113 9.48743 8.54702 4.59567 8.5129 numMergedOcc 0
66 mol 224 unq 1 iso 0 dist 8.08349 10.3613 9.78218 11.4491 8.55345 9.14568 4.59567 8.54702 9.48743 7.96876 numMergedOcc 0
67 mol 224 unq 1 iso 1 dist 9.78218 10.3613 8.08349 9.14568 8.55345 11.4491 9.48743 8.54702 4.59567 7.96876 numMergedOcc 0
68 mol 225 unq 0 iso 0 dist 8.1945 13.3965 6.50998 10.7506 8.91356 8.69249 17.0241 9.57955 10.6484 16.9887 numMergedOcc 0
69 mol 225 unq 0 iso 1 dist 6.50998 13.3965 8.1945 8.69249 8.91356 10.7506 10.6484 9.57955 17.0241 16.9887 numMergedOcc 0
70 mol 225 unq 1 iso 0 dist 8.1945 13.3965 6.50998 10.7506 8.91356 8.69249 16.6392 9.87668 4.76151 8.99405 numMergedOcc 0
71 mol 225 unq 1 iso 1 dist 6.50998 13.3965 8.1945 8.69249 8.91356 10.7506 4.76151 9.87668 16.6392 8.99405 numMergedOcc 0
72 mol 225 unq 2 iso 0 dist 8.1945 13.3965 6.50998 7.12954 9.59574 14.2819 17.0241 9.57955 10.6484 15.7166 numMergedOcc 0
73 mol 225 unq 2 iso 1 dist 6.50998 13.3965 8.1945 14.2819 9.59574 7.12954 10.6484 9.57955 17.0241 15.7166 numMergedOcc 0
74 mol 225 unq 3 iso 0 dist 8.1945 13.3965 6.50998 7.12954 9.59574 14.2819 16.6392 9.87668 4.76151 18.6744 numMergedOcc 0
75 mol 225 unq 3 iso 1 dist 6.50998 13.3965 8.1945 14.2819 9.59574 7.12954 4.76151 9.87668 16.6392 18.6744 numMergedOcc 0
76 mol 234 unq 0 iso 0 dist 7.81215 10.2693 5.64285 5.56749 9.11572 8.0608 11.113 9.08151 5.52595 8.16702 numMergedOcc 0
77 mol 234 unq 0 iso 1 dist 5.64285 10.2693 7.81215 8.0608 9.11572 5.56749 5.52595 9.08151 11.113 8.16702 numMergedOcc 0
78 mol 234 unq 1 iso 0 dist 7.81215 10.2693 5.64285 15.015 9.49229 5.34613 11.113 9.08151 5.52595 9.70708 numMergedOcc 0
79 mol 234 unq 1 iso 1 dist 5.64285 10.2693 7.81215 5.34613 9.49229 15.015 5.52595 9.08151 11.113 9.70708 numMergedOcc 0
80 mol 234 unq 2 iso 0 dist 7.81215 10.2693 5.64285 12.1076 7.20293 6.29366 11.113 9.08151 5.52595 11.7632 numMergedOcc 0
81 mol 234 unq 2 iso 1 dist 5.64285 10.2693 7.81215 6.29366 7.20293 12.1076 5.52595 9.08151 11.113 11.7632 numMergedOcc 0
82 mol 238 unq 0 iso 0 dist 9.12776 15.7907 9.72188 8.82861 9.84652 15.5674 11.0349 6.53286 10.7551 5.88491 numMergedOcc 0
83 mol 238 unq 0 iso 1 dist 9.72188 15.7907 9.12776 15.5674 9.84652 8.82861 10.7551 6.53286 11.0349 5.88491 numMergedOcc 0
84 mol 267 unq 0 iso 0 dist 8.8293 5.91646 7.34981 7.11419 5.08174 6.45566 6.74922 7.60505 9.163 9.7551 numMergedOcc 0
85 mol 267 unq 0 iso 1 dist 7.34981 5.91646 8.8293 6.45566 5.08174 7.11419 9.163 7.60505 6.74922 9.7551 numMergedOcc 0
86 mol 284 unq 0 iso 0 dist 9.19921 5.10183 6.41303 9.71439 9.69262 5.21666 10.8266 8.63754 8.63375 11.0091 numMergedOcc 0
87 mol 284 unq 0 iso 1 dist 6.41303 5.10183 9.19921 5.21666 9.69262 9.71439 8.63375 8.63754 10.8266 11.0091 numMergedOcc 0
88 mol 292 unq 0 iso 0 dist 9.9182 10.3106 7.30758 9.98079 9.08193 5.07048 16.2289 9.84946 9.84292 8.27109 numMergedOcc 0
89 mol 292 unq 0 iso 1 dist 7.30758 10.3106 9.9182 5.07048 9.08193 9.98079 9.84292 9.84946 16.2289 8.27109 numMergedOcc 0
90 mol 292 unq 1 iso 0 dist 9.9182 10.3106 7.30758 18.0293 8.73515 12.1551 16.2289 9.84946 9.84292 6.67435 numMergedOcc 0
91 mol 292 unq 1 iso 1 dist 7.30758 10.3106 9.9182 12.1551 8.73515 18.0293 9.84292 9.84946 16.2289 6.67435 numMergedOcc 0
92 mol 292 unq 2 iso 0 dist 9.9182 12.1693 9.10788 9.98079 9.08193 10.0311 16.2289 9.84946 8.96137 8.27109 numMergedOcc 0
93 mol 292 unq 2 iso 1 dist 9.10788 12.1693 9.9182 10.0311 9.08193 9.98079 8.96137 9.84946 16.2289 8.27109 numMergedOcc 0
94 mol 292 unq 3 iso 0 dist 9.9182 12.1693 9.10788 18.0293 8.73515 10.8709 16.2289 9.84946 8.96137 6.67435 numMergedOcc 0
95 mol 292 unq 3 iso 1 dist 9.10788 12.1693 9.9182 10.8709 8.73515 18.0293 8.96137 9.84946 16.2289 6.67435 numMergedOcc 0
96 mol 292 unq 2 iso 0 dist 7.30758 12.6861 9.10788 5.07048 9.08193 10.0311 9.84292 9.84946 8.96137 8.27109 numMergedOcc 0
97 mol 292 unq 2 iso 1 dist 9.10788 12.6861 7.30758 10.0311 9.08193 5.07048 8.96137 9.84946 9.84292 8.27109 numMergedOcc 0
98 mol 292 unq 3 iso 0 dist 7.30758 12.6861 9.10788 12.1551 8.73515 10.8709 9.84292 9.84946 8.96137 6.67435 numMergedOcc 0
99 mol 292 unq 3 iso 1 dist 9.10788 12.6861 7.30758 10.8709 8.73515 12.1551 8.96137 9.84946 9.84292 6.67435 numMergedOcc 0
