0 mol 98 unq 0 iso 0 dist 5.10496 9.51923 5.92242 7.32662 8.75597 13.4985 7.94178 9.84703 15.7178 8.02554 numMergedOcc 0
1 mol 98 unq 0 iso 1 dist 5.92242 9.51923 5.10496 13.4985 8.75597 7.32662 15.7178 9.84703 7.94178 8.02554 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 5.10496 9.51923 5.92242 7.32662 8.75597 13.4985 4.4057 4.62494 7.42446 11.2092 numMergedOcc 0
3 mol 98 unq 1 iso 1 dist 5.92242 9.51923 5.10496 13.4985 8.75597 7.32662 7.42446 4.62494 4.4057 11.2092 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 5.10496 9.51923 5.92242 12.3881 9.18457 7.89505 7.94178 9.84703 15.7178 16.2968 numMergedOcc 0
5 mol 98 unq 2 iso 1 dist 5.92242 9.51923 5.10496 7.89505 9.18457 12.3881 15.7178 9.84703 7.94178 16.2968 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 5.10496 9.51923 5.92242 12.3881 9.18457 7.89505 4.4057 4.62494 7.42446 8.26478 numMergedOcc 0
7 mol 98 unq 3 iso 1 dist 5.92242 9.51923 5.10496 7.89505 9.18457 12.3881 7.42446 4.62494 4.4057 8.26478 numMergedOcc 0
8 mol 98 unq 4 iso 0 dist 5.10496 8.40073 5.2571 7.32662 8.75597 6.934 7.94178 9.84703 9.85543 8.02554 numMergedOcc 0
9 mol 98 unq 4 iso 1 dist 5.2571 8.40073 5.10496 6.934 8.75597 7.32662 9.85543 9.84703 7.94178 8.02554 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 5.10496 8.40073 5.2571 7.32662 8.75597 6.934 4.4057 4.62494 9.67482 11.2092 numMergedOcc 0
11 mol 98 unq 5 iso 1 dist 5.2571 8.40073 5.10496 6.934 8.75597 7.32662 9.67482 4.62494 4.4057 11.2092 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 5.10496 8.40073 5.2571 12.3881 9.18457 13.1975 7.94178 9.84703 9.85543 16.2968 numMergedOcc 0
13 mol 98 unq 6 iso 1 dist 5.2571 8.40073 5.10496 13.1975 9.18457 12.3881 9.85543 9.84703 7.94178 16.2968 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 5.10496 8.40073 5.2571 12.3881 9.18457 13.1975 4.4057 4.62494 9.67482 8.26478 numMergedOcc 0
15 mol 98 unq 7 iso 1 dist 5.2571 8.40073 5.10496 13.1975 9.18457 12.3881 9.67482 4.62494 4.4057 8.26478 numMergedOcc 0
16 mol 98 unq 8 iso 0 dist 5.10496 10.2427 8.7497 7.32662 8.75597 7.17433 7.94178 9.84703 7.28361 8.02554 numMergedOcc 0
17 mol 98 unq 8 iso 1 dist 8.7497 10.2427 5.10496 7.17433 8.75597 7.32662 7.28361 9.84703 7.94178 8.02554 numMergedOcc 0
18 mol 98 unq 9 iso 0 dist 5.10496 10.2427 8.7497 7.32662 8.75597 7.17433 4.4057 4.62494 12.0974 11.2092 numMergedOcc 0
19 mol 98 unq 9 iso 1 dist 8.7497 10.2427 5.10496 7.17433 8.75597 7.32662 12.0974 4.62494 4.4057 11.2092 numMergedOcc 0
20 mol 98 unq 10 iso 0 dist 5.10496 10.2427 8.7497 12.3881 9.18457 15.9953 7.94178 9.84703 7.28361 16.2968 numMergedOcc 0
21 mol 98 unq 10 iso 1 dist 8.7497 10.2427 5.10496 15.9953 9.18457 12.3881 7.28361 9.84703 7.94178 16.2968 numMergedOcc 0
22 mol 98 unq 11 iso 0 dist 5.10496 10.2427 8.7497 12.3881 9.18457 15.9953 4.4057 4.62494 12.0974 8.26478 numMergedOcc 0
23 mol 98 unq 11 iso 1 dist 8.7497 10.2427 5.10496 15.9953 9.18457 12.3881 12.0974 4.62494 4.4057 8.26478 numMergedOcc 0
24 mol 98 unq 12 iso 0 dist 9.64383 13.659 7.54889 8.76845 6.83746 13.9572 18.5442 9.25444 9.85543 14.6934 numMergedOcc 0
25 mol 98 unq 12 iso 1 dist 7.54889 13.659 9.64383 13.9572 6.83746 8.76845 9.85543 9.25444 18.5442 14.6934 numMergedOcc 0
26 mol 98 unq 13 iso 0 dist 9.64383 13.659 7.54889 8.76845 6.83746 13.9572 16.4267 8.46823 9.67482 11.4207 numMergedOcc 0
27 mol 98 unq 13 iso 1 dist 7.54889 13.659 9.64383 13.9572 6.83746 8.76845 9.67482 8.46823 16.4267 11.4207 numMergedOcc 0
28 mol 98 unq 14 iso 0 dist 9.64383 13.659 7.54889 11.7715 9.14707 13.1975 16.4267 8.46823 9.67482 8.26478 numMergedOcc 0
29 mol 98 unq 14 iso 1 dist 7.54889 13.659 9.64383 13.1975 9.14707 11.7715 9.67482 8.46823 16.4267 8.26478 numMergedOcc 0
30 mol 98 unq 15 iso 0 dist 9.64383 13.659 7.54889 11.7715 9.14707 13.1975 18.5442 9.25444 9.85543 16.2968 numMergedOcc 0
31 mol 98 unq 15 iso 1 dist 7.54889 13.659 9.64383 13.1975 9.14707 11.7715 9.85543 9.25444 18.5442 16.2968 numMergedOcc 0
32 mol 98 unq 16 iso 0 dist 9.64383 14.591 7.78931 8.76845 6.83746 14.5341 18.5442 9.25444 7.28361 14.6934 numMergedOcc 0
33 mol 98 unq 16 iso 1 dist 7.78931 14.591 9.64383 14.5341 6.83746 8.76845 7.28361 9.25444 18.5442 14.6934 numMergedOcc 0
34 mol 98 unq 17 iso 0 dist 9.64383 14.591 7.78931 8.76845 6.83746 14.5341 16.4267 8.46823 12.0974 11.4207 numMergedOcc 0
35 mol 98 unq 17 iso 1 dist 7.78931 14.591 9.64383 14.5341 6.83746 8.76845 12.0974 8.46823 16.4267 11.4207 numMergedOcc 0
36 mol 98 unq 18 iso 0 dist 9.64383 14.591 7.78931 11.7715 9.14707 15.9953 16.4267 8.46823 12.0974 8.26478 numMergedOcc 0
37 mol 98 unq 18 iso 1 dist 7.78931 14.591 9.64383 15.9953 9.14707 11.7715 12.0974 8.46823 16.4267 8.26478 numMergedOcc 0
38 mol 98 unq 19 iso 0 dist 9.64383 14.591 7.78931 11.7715 9.14707 15.9953 18.5442 9.25444 7.28361 16.2968 numMergedOcc 0
39 mol 98 unq 19 iso 1 dist 7.78931 14.591 9.64383 15.9953 9.14707 11.7715 7.28361 9.25444 18.5442 16.2968 numMergedOcc 0
40 mol 98 unq 4 iso 0 dist 5.92242 9.42358 5.2571 13.4985 8.75597 6.934 15.7178 9.84703 9.85543 8.02554 numMergedOcc 0
41 mol 98 unq 4 iso 1 dist 5.2571 9.42358 5.92242 6.934 8.75597 13.4985 9.85543 9.84703 15.7178 8.02554 numMergedOcc 0
42 mol 98 unq 5 iso 0 dist 5.92242 9.42358 5.2571 13.4985 8.75597 6.934 7.42446 4.62494 9.67482 11.2092 numMergedOcc 0
43 mol 98 unq 5 iso 1 dist 5.2571 9.42358 5.92242 6.934 8.75597 13.4985 9.67482 4.62494 7.42446 11.2092 numMergedOcc 0
44 mol 98 unq 6 iso 0 dist 5.92242 9.42358 5.2571 7.89505 9.18457 13.1975 15.7178 9.84703 9.85543 16.2968 numMergedOcc 0
45 mol 98 unq 6 iso 1 dist 5.2571 9.42358 5.92242 13.1975 9.18457 7.89505 9.85543 9.84703 15.7178 16.2968 numMergedOcc 0
46 mol 98 unq 7 iso 0 dist 5.92242 9.42358 5.2571 7.89505 9.18457 13.1975 7.42446 4.62494 9.67482 8.26478 numMergedOcc 0
47 mol 98 unq 7 iso 1 dist 5.2571 9.42358 5.92242 13.1975 9.18457 7.89505 9.67482 4.62494 7.42446 8.26478 numMergedOcc 0
48 mol 98 unq 8 iso 0 dist 5.92242 13.9786 8.7497 13.4985 8.75597 7.17433 15.7178 9.84703 7.28361 8.02554 numMergedOcc 0
49 mol 98 unq 8 iso 1 dist 8.7497 13.9786 5.92242 7.17433 8.75597 13.4985 7.28361 9.84703 15.7178 8.02554 numMergedOcc 0
50 mol 98 unq 9 iso 0 dist 5.92242 13.9786 8.7497 13.4985 8.75597 7.17433 7.42446 4.62494 12.0974 11.2092 numMergedOcc 0
51 mol 98 unq 9 iso 1 dist 8.7497 13.9786 5.92242 7.17433 8.75597 13.4985 12.0974 4.62494 7.42446 11.2092 numMergedOcc 0
52 mol 98 unq 10 iso 0 dist 5.92242 13.9786 8.7497 7.89505 9.18457 15.9953 15.7178 9.84703 7.28361 16.2968 numMergedOcc 0
53 mol 98 unq 10 iso 1 dist 8.7497 13.9786 5.92242 15.9953 9.18457 7.89505 7.28361 9.84703 15.7178 16.2968 numMergedOcc 0
54 mol 98 unq 11 iso 0 dist 5.92242 13.9786 8.7497 7.89505 9.18457 15.9953 7.42446 4.62494 12.0974 8.26478 numMergedOcc 0
55 mol 98 unq 11 iso 1 dist 8.7497 13.9786 5.92242 15.9953 9.18457 7.89505 12.0974 4.62494 7.42446 8.26478 numMergedOcc 0
56 mol 98 unq 16 iso 0 dist 7.54889 5.02887 7.78931 13.9572 6.83746 14.5341 9.85543 9.25444 7.28361 14.6934 numMergedOcc 0
57 mol 98 unq 16 iso 1 dist 7.78931 5.02887 7.54889 14.5341 6.83746 13.9572 7.28361 9.25444 9.85543 14.6934 numMergedOcc 0
58 mol 98 unq 17 iso 0 dist 7.54889 5.02887 7.78931 13.9572 6.83746 14.5341 9.67482 8.46823 12.0974 11.4207 numMergedOcc 0
59 mol 98 unq 17 iso 1 dist 7.78931 5.02887 7.54889 14.5341 6.83746 13.9572 12.0974 8.46823 9.67482 11.4207 numMergedOcc 0
60 mol 98 unq 18 iso 0 dist 7.54889 5.02887 7.78931 13.1975 9.14707 15.9953 9.67482 8.46823 12.0974 8.26478 numMergedOcc 0
61 mol 98 unq 18 iso 1 dist 7.78931 5.02887 7.54889 15.9953 9.14707 13.1975 12.0974 8.46823 9.67482 8.26478 numMergedOcc 0
62 mol 98 unq 19 iso 0 dist 7.54889 5.02887 7.78931 13.1975 9.14707 15.9953 9.85543 9.25444 7.28361 16.2968 numMergedOcc 0
63 mol 98 unq 19 iso 1 dist 7.78931 5.02887 7.54889 15.9953 9.14707 13.1975 7.28361 9.25444 9.85543 16.2968 numMergedOcc 0
64 mol 98 unq 8 iso 0 dist 5.2571 5.02887 8.7497 6.934 8.75597 7.17433 9.85543 9.84703 7.28361 8.02554 numMergedOcc 0
65 mol 98 unq 8 iso 1 dist 8.7497 5.02887 5.2571 7.17433 8.75597 6.934 7.28361 9.84703 9.85543 8.02554 numMergedOcc 0
66 mol 98 unq 9 iso 0 dist 5.2571 5.02887 8.7497 6.934 8.75597 7.17433 9.67482 4.62494 12.0974 11.2092 numMergedOcc 0
67 mol 98 unq 9 iso 1 dist 8.7497 5.02887 5.2571 7.17433 8.75597 6.934 12.0974 4.62494 9.67482 11.2092 numMergedOcc 0
68 mol 98 unq 10 iso 0 dist 5.2571 5.02887 8.7497 13.1975 9.18457 15.9953 9.85543 9.84703 7.28361 16.2968 numMergedOcc 0
69 mol 98 unq 10 iso 1 dist 8.7497 5.02887 5.2571 15.9953 9.18457 13.1975 7.28361 9.84703 9.85543 16.2968 numMergedOcc 0
70 mol 98 unq 11 iso 0 dist 5.2571 5.02887 8.7497 13.1975 9.18457 15.9953 9.67482 4.62494 12.0974 8.26478 numMergedOcc 0
71 mol 98 unq 11 iso 1 dist 8.7497 5.02887 5.2571 15.9953 9.18457 13.1975 12.0974 4.62494 9.67482 8.26478 numMergedOcc 0
72 mol 105 unq 0 iso 0 dist 9.16718 5.68291 7.94633 7.33596 7.44838 8.22667 11.0132 7.77089 9.96719 4.22355 numMergedOcc 0
73 mol 105 unq 0 iso 1 dist 7.94633 5.68291 9.16718 8.22667 7.44838 7.33596 9.96719 7.77089 11.0132 4.22355 numMergedOcc 0
74 mol 112 unq 0 iso 0 dist 7.7988 4.97527 9.40824 7.83771 7.34602 11.4843 6.41459 8.06134 7.18484 12.2538 numMergedOcc 0
75 mol 112 unq 0 iso 1 dist 9.40824 4.97527 7.7988 11.4843 7.34602 7.83771 7.18484 8.06134 6.41459 12.2538 numMergedOcc 0
76 mol 112 unq 1 iso 0 dist 7.7988 4.97527 9.40824 7.83771 7.34602 11.4843 7.64054 5.36587 10.9474 8.49846 numMergedOcc 0
77 mol 112 unq 1 iso 1 dist 9.40824 4.97527 7.7988 11.4843 7.34602 7.83771 10.9474 5.36587 7.64054 8.49846 numMergedOcc 0
78 mol 112 unq 2 iso 0 dist 7.7988 6.34999 4.22363 7.83771 7.34602 9.97869 6.41459 8.06134 4.35926 12.2538 numMergedOcc 0
79 mol 112 unq 2 iso 1 dist 4.22363 6.34999 7.7988 9.97869 7.34602 7.83771 4.35926 8.06134 6.41459 12.2538 numMergedOcc 0
80 mol 112 unq 3 iso 0 dist 7.7988 6.34999 4.22363 7.83771 7.34602 9.97869 7.64054 5.36587 5.76098 8.49846 numMergedOcc 0
81 mol 112 unq 3 iso 1 dist 4.22363 6.34999 7.7988 9.97869 7.34602 7.83771 5.76098 5.36587 7.64054 8.49846 numMergedOcc 0
82 mol 112 unq 2 iso 0 dist 9.40824 6.72751 4.22363 11.4843 7.34602 9.97869 7.18484 8.06134 4.35926 12.2538 numMergedOcc 0
83 mol 112 unq 2 iso 1 dist 4.22363 6.72751 9.40824 9.97869 7.34602 11.4843 4.35926 8.06134 7.18484 12.2538 numMergedOcc 0
84 mol 112 unq 3 iso 0 dist 9.40824 6.72751 4.22363 11.4843 7.34602 9.97869 10.9474 5.36587 5.76098 8.49846 numMergedOcc 0
85 mol 112 unq 3 iso 1 dist 4.22363 6.72751 9.40824 9.97869 7.34602 11.4843 5.76098 5.36587 10.9474 8.49846 numMergedOcc 0
86 mol 119 unq 0 iso 0 dist 8.95212 10.9871 6.99446 13.52 9.57341 4.99056 5.13589 8.67537 10.8661 14.8901 numMergedOcc 0
87 mol 119 unq 0 iso 1 dist 6.99446 10.9871 8.95212 4.99056 9.57341 13.52 10.8661 8.67537 5.13589 14.8901 numMergedOcc 0
88 mol 119 unq 1 iso 0 dist 8.95212 9.93257 7.64052 13.52 9.57341 3.78311 5.13589 8.67537 12.0175 14.8901 numMergedOcc 0
89 mol 119 unq 1 iso 1 dist 7.64052 9.93257 8.95212 3.78311 9.57341 13.52 12.0175 8.67537 5.13589 14.8901 numMergedOcc 0
90 mol 119 unq 1 iso 0 dist 6.99446 4.85907 7.64052 4.99056 9.57341 3.78311 10.8661 8.67537 12.0175 14.8901 numMergedOcc 0
91 mol 119 unq 1 iso 1 dist 7.64052 4.85907 6.99446 3.78311 9.57341 4.99056 12.0175 8.67537 10.8661 14.8901 numMergedOcc 0
92 mol 170 unq 0 iso 0 dist 9.08274 8.56034 9.51256 5.95519 5.13268 7.72147 9.275 6.47164 4.34698 7.29587 numMergedOcc 0
93 mol 170 unq 0 iso 1 dist 9.51256 8.56034 9.08274 7.72147 5.13268 5.95519 4.34698 6.47164 9.275 7.29587 numMergedOcc 0
94 mol 170 unq 1 iso 0 dist 9.08274 8.56034 9.51256 5.95519 5.13268 7.72147 12.5696 9.65126 5.75144 8.73585 numMergedOcc 0
95 mol 170 unq 1 iso 1 dist 9.51256 8.56034 9.08274 7.72147 5.13268 5.95519 5.75144 9.65126 12.5696 8.73585 numMergedOcc 0
96 mol 224 unq 0 iso 0 dist 8.08349 10.3613 9.78218 4.59567 8.54702 9.48743 10.7174 5.05368 6.51732 10.0385 numMergedOcc 0
97 mol 224 unq 0 iso 1 dist 9.78218 10.3613 8.08349 9.48743 8.54702 4.59567 6.51732 5.05368 10.7174 10.0385 numMergedOcc 0
98 mol 227 unq 0 iso 0 dist 5.23634 5.22356 6.91318 10.5813 9.43618 7.22396 6.35849 9.18728 10.204 12.8075 numMergedOcc 0
99 mol 227 unq 0 iso 1 dist 6.91318 5.22356 5.23634 7.22396 9.43618 10.5813 10.204 9.18728 6.35849 12.8075 numMergedOcc 0
100 mol 227 unq 1 iso 0 dist 5.23634 5.22356 6.91318 10.5813 9.43618 7.22396 10.9607 8.91971 9.72615 4.59123 numMergedOcc 0
101 mol 227 unq 1 iso 1 dist 6.91318 5.22356 5.23634 7.22396 9.43618 10.5813 9.72615 8.91971 10.9607 4.59123 numMergedOcc 0
102 mol 234 unq 0 iso 0 dist 7.81215 10.2693 5.64285 11.113 9.08151 5.52595 10.0059 7.77911 5.08515 9.35405 numMergedOcc 0
103 mol 234 unq 0 iso 1 dist 5.64285 10.2693 7.81215 5.52595 9.08151 11.113 5.08515 7.77911 10.0059 9.35405 numMergedOcc 0
104 mol 235 unq 0 iso 0 dist 8.19317 7.218 5.1823 11.5211 9.11454 6.65703 6.82855 8.97952 6.46722 5.92143 numMergedOcc 0
105 mol 235 unq 0 iso 1 dist 5.1823 7.218 8.19317 6.65703 9.11454 11.5211 6.46722 8.97952 6.82855 5.92143 numMergedOcc 0
106 mol 239 unq 0 iso 0 dist 6.73665 11.347 9.34438 13.1624 8.88763 5.75834 11.169 8.95511 18.2672 16.7674 numMergedOcc 0
107 mol 239 unq 0 iso 1 dist 9.34438 11.347 6.73665 5.75834 8.88763 13.1624 18.2672 8.95511 11.169 16.7674 numMergedOcc 0
108 mol 239 unq 1 iso 0 dist 6.73665 11.347 9.34438 13.1624 8.88763 5.75834 5.88931 5.85002 6.22471 9.48848 numMergedOcc 0
109 mol 239 unq 1 iso 1 dist 9.34438 11.347 6.73665 5.75834 8.88763 13.1624 6.22471 5.85002 5.88931 9.48848 numMergedOcc 0
110 mol 239 unq 2 iso 0 dist 6.73665 11.347 9.34438 7.34872 6.43209 7.5231 11.169 8.95511 18.2672 13.3917 numMergedOcc 0
111 mol 239 unq 2 iso 1 dist 9.34438 11.347 6.73665 7.5231 6.43209 7.34872 18.2672 8.95511 11.169 13.3917 numMergedOcc 0
112 mol 239 unq 3 iso 0 dist 6.73665 11.347 9.34438 7.34872 6.43209 7.5231 5.88931 5.85002 6.22471 6.77384 numMergedOcc 0
113 mol 239 unq 3 iso 1 dist 9.34438 11.347 6.73665 7.5231 6.43209 7.34872 6.22471 5.85002 5.88931 6.77384 numMergedOcc 0
114 mol 239 unq 4 iso 0 dist 6.73665 11.347 9.34438 8.9361 8.48769 14.4518 11.169 8.95511 18.2672 9.38172 numMergedOcc 0
115 mol 239 unq 4 iso 1 dist 9.34438 11.347 6.73665 14.4518 8.48769 8.9361 18.2672 8.95511 11.169 9.38172 numMergedOcc 0
116 mol 239 unq 5 iso 0 dist 6.73665 11.347 9.34438 8.9361 8.48769 14.4518 5.88931 5.85002 6.22471 11.9537 numMergedOcc 0
117 mol 239 unq 5 iso 1 dist 9.34438 11.347 6.73665 14.4518 8.48769 8.9361 6.22471 5.85002 5.88931 11.9537 numMergedOcc 0
118 mol 239 unq 6 iso 0 dist 6.73665 7.97994 9.35949 13.1624 8.88763 10.7034 11.169 8.95511 13.9678 16.7674 numMergedOcc 0
119 mol 239 unq 6 iso 1 dist 9.35949 7.97994 6.73665 10.7034 8.88763 13.1624 13.9678 8.95511 11.169 16.7674 numMergedOcc 0
120 mol 239 unq 7 iso 0 dist 6.73665 7.97994 9.35949 13.1624 8.88763 10.7034 5.88931 5.85002 9.88845 9.48848 numMergedOcc 0
121 mol 239 unq 7 iso 1 dist 9.35949 7.97994 6.73665 10.7034 8.88763 13.1624 9.88845 5.85002 5.88931 9.48848 numMergedOcc 0
122 mol 239 unq 8 iso 0 dist 6.73665 7.97994 9.35949 7.34872 6.43209 4.15997 11.169 8.95511 13.9678 13.3917 numMergedOcc 0
123 mol 239 unq 8 iso 1 dist 9.35949 7.97994 6.73665 4.15997 6.43209 7.34872 13.9678 8.95511 11.169 13.3917 numMergedOcc 0
124 mol 239 unq 9 iso 0 dist 6.73665 7.97994 9.35949 7.34872 6.43209 4.15997 5.88931 5.85002 9.88845 6.77384 numMergedOcc 0
125 mol 239 unq 9 iso 1 dist 9.35949 7.97994 6.73665 4.15997 6.43209 7.34872 9.88845 5.85002 5.88931 6.77384 numMergedOcc 0
126 mol 239 unq 10 iso 0 dist 6.73665 7.97994 9.35949 8.9361 8.48769 5.66218 11.169 8.95511 13.9678 9.38172 numMergedOcc 0
127 mol 239 unq 10 iso 1 dist 9.35949 7.97994 6.73665 5.66218 8.48769 8.9361 13.9678 8.95511 11.169 9.38172 numMergedOcc 0
128 mol 239 unq 11 iso 0 dist 6.73665 7.97994 9.35949 8.9361 8.48769 5.66218 5.88931 5.85002 9.88845 11.9537 numMergedOcc 0
129 mol 239 unq 11 iso 1 dist 9.35949 7.97994 6.73665 5.66218 8.48769 8.9361 9.88845 5.85002 5.88931 11.9537 numMergedOcc 0
130 mol 239 unq 6 iso 0 dist 9.34438 11.2636 9.35949 5.75834 8.88763 10.7034 18.2672 8.95511 13.9678 16.7674 numMergedOcc 0
131 mol 239 unq 6 iso 1 dist 9.35949 11.2636 9.34438 10.7034 8.88763 5.75834 13.9678 8.95511 18.2672 16.7674 numMergedOcc 0
132 mol 239 unq 7 iso 0 dist 9.34438 11.2636 9.35949 5.75834 8.88763 10.7034 6.22471 5.85002 9.88845 9.48848 numMergedOcc 0
133 mol 239 unq 7 iso 1 dist 9.35949 11.2636 9.34438 10.7034 8.88763 5.75834 9.88845 5.85002 6.22471 9.48848 numMergedOcc 0
134 mol 239 unq 8 iso 0 dist 9.34438 11.2636 9.35949 7.5231 6.43209 4.15997 18.2672 8.95511 13.9678 13.3917 numMergedOcc 0
135 mol 239 unq 8 iso 1 dist 9.35949 11.2636 9.34438 4.15997 6.43209 7.5231 13.9678 8.95511 18.2672 13.3917 numMergedOcc 0
136 mol 239 unq 9 iso 0 dist 9.34438 11.2636 9.35949 7.5231 6.43209 4.15997 6.22471 5.85002 9.88845 6.77384 numMergedOcc 0
137 mol 239 unq 9 iso 1 dist 9.35949 11.2636 9.34438 4.15997 6.43209 7.5231 9.88845 5.85002 6.22471 6.77384 numMergedOcc 0
138 mol 239 unq 10 iso 0 dist 9.34438 11.2636 9.35949 14.4518 8.48769 5.66218 18.2672 8.95511 13.9678 9.38172 numMergedOcc 0
139 mol 239 unq 10 iso 1 dist 9.35949 11.2636 9.34438 5.66218 8.48769 14.4518 13.9678 8.95511 18.2672 9.38172 numMergedOcc 0
140 mol 239 unq 11 iso 0 dist 9.34438 11.2636 9.35949 14.4518 8.48769 5.66218 6.22471 5.85002 9.88845 11.9537 numMergedOcc 0
141 mol 239 unq 11 iso 1 dist 9.35949 11.2636 9.34438 5.66218 8.48769 14.4518 9.88845 5.85002 6.22471 11.9537 numMergedOcc 0
142 mol 267 unq 0 iso 0 dist 8.8293 5.91646 7.34981 6.74922 7.60505 9.163 9.14203 6.27154 8.37094 4.61607 numMergedOcc 0
143 mol 267 unq 0 iso 1 dist 7.34981 5.91646 8.8293 9.163 7.60505 6.74922 8.37094 6.27154 9.14203 4.61607 numMergedOcc 0
