0 mol 1 unq 0 iso 0 dist 8.26708 5.92202 6.09918 10.5521 7.73435 7.4817 6.27888 7.27254 4.50502 11.6921 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 6.09918 5.92202 8.26708 7.4817 7.73435 10.5521 4.50502 7.27254 6.27888 11.6921 numMergedOcc 0
2 mol 1 unq 1 iso 0 dist 8.26708 5.92202 6.09918 7.15595 5.71995 7.63941 6.27888 7.27254 4.50502 10.2632 numMergedOcc 0
3 mol 1 unq 1 iso 1 dist 6.09918 5.92202 8.26708 7.63941 5.71995 7.15595 4.50502 7.27254 6.27888 10.2632 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.93832 8.13395 8.60739 7.05402 7.31982 5.48048 10.8828 7.24352 5.07458 4.69849 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 8.60739 8.13395 9.93832 5.48048 7.31982 7.05402 5.07458 7.24352 10.8828 4.69849 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 9.81831 6.30447 9.12858 11.6865 5.51624 7.64463 16.1023 7.8435 12.4934 4.97727 numMergedOcc 0
7 mol 93 unq 0 iso 1 dist 9.12858 6.30447 9.81831 7.64463 5.51624 11.6865 12.4934 7.8435 16.1023 4.97727 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 9.81831 6.30447 9.12858 11.6865 5.51624 7.64463 13.1721 5.99269 11.0537 5.77343 numMergedOcc 0
9 mol 93 unq 1 iso 1 dist 9.12858 6.30447 9.81831 7.64463 5.51624 11.6865 11.0537 5.99269 13.1721 5.77343 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 9.81831 6.30447 9.12858 11.6865 5.51624 7.64463 9.34182 5.71763 12.0103 11.0802 numMergedOcc 0
11 mol 93 unq 2 iso 1 dist 9.12858 6.30447 9.81831 7.64463 5.51624 11.6865 12.0103 5.71763 9.34182 11.0802 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 9.81831 6.30447 9.12858 12.2598 7.8674 14.8533 16.1023 7.8435 12.4934 13.8087 numMergedOcc 0
13 mol 93 unq 3 iso 1 dist 9.12858 6.30447 9.81831 14.8533 7.8674 12.2598 12.4934 7.8435 16.1023 13.8087 numMergedOcc 0
14 mol 93 unq 4 iso 0 dist 9.81831 6.30447 9.12858 12.2598 7.8674 14.8533 13.1721 5.99269 11.0537 9.96831 numMergedOcc 0
15 mol 93 unq 4 iso 1 dist 9.12858 6.30447 9.81831 14.8533 7.8674 12.2598 11.0537 5.99269 13.1721 9.96831 numMergedOcc 0
16 mol 93 unq 5 iso 0 dist 9.81831 6.30447 9.12858 12.2598 7.8674 14.8533 9.34182 5.71763 12.0103 5.33894 numMergedOcc 0
17 mol 93 unq 5 iso 1 dist 9.12858 6.30447 9.81831 14.8533 7.8674 12.2598 12.0103 5.71763 9.34182 5.33894 numMergedOcc 0
18 mol 93 unq 6 iso 0 dist 9.81831 9.91939 9.4523 11.6865 5.51624 8.29171 16.1023 7.8435 10.8106 4.97727 numMergedOcc 0
19 mol 93 unq 6 iso 1 dist 9.4523 9.91939 9.81831 8.29171 5.51624 11.6865 10.8106 7.8435 16.1023 4.97727 numMergedOcc 0
20 mol 93 unq 7 iso 0 dist 9.81831 9.91939 9.4523 11.6865 5.51624 8.29171 13.1721 5.99269 7.14217 5.77343 numMergedOcc 0
21 mol 93 unq 7 iso 1 dist 9.4523 9.91939 9.81831 8.29171 5.51624 11.6865 7.14217 5.99269 13.1721 5.77343 numMergedOcc 0
22 mol 93 unq 8 iso 0 dist 9.81831 9.91939 9.4523 11.6865 5.51624 8.29171 9.34182 5.71763 12.9351 11.0802 numMergedOcc 0
23 mol 93 unq 8 iso 1 dist 9.4523 9.91939 9.81831 8.29171 5.51624 11.6865 12.9351 5.71763 9.34182 11.0802 numMergedOcc 0
24 mol 93 unq 9 iso 0 dist 9.81831 9.91939 9.4523 12.2598 7.8674 12.7936 16.1023 7.8435 10.8106 13.8087 numMergedOcc 0
25 mol 93 unq 9 iso 1 dist 9.4523 9.91939 9.81831 12.7936 7.8674 12.2598 10.8106 7.8435 16.1023 13.8087 numMergedOcc 0
26 mol 93 unq 10 iso 0 dist 9.81831 9.91939 9.4523 12.2598 7.8674 12.7936 13.1721 5.99269 7.14217 9.96831 numMergedOcc 0
27 mol 93 unq 10 iso 1 dist 9.4523 9.91939 9.81831 12.7936 7.8674 12.2598 7.14217 5.99269 13.1721 9.96831 numMergedOcc 0
28 mol 93 unq 11 iso 0 dist 9.81831 9.91939 9.4523 12.2598 7.8674 12.7936 9.34182 5.71763 12.9351 5.33894 numMergedOcc 0
29 mol 93 unq 11 iso 1 dist 9.4523 9.91939 9.81831 12.7936 7.8674 12.2598 12.9351 5.71763 9.34182 5.33894 numMergedOcc 0
30 mol 93 unq 6 iso 0 dist 9.12858 7.66728 9.4523 7.64463 5.51624 8.29171 12.4934 7.8435 10.8106 4.97727 numMergedOcc 0
31 mol 93 unq 6 iso 1 dist 9.4523 7.66728 9.12858 8.29171 5.51624 7.64463 10.8106 7.8435 12.4934 4.97727 numMergedOcc 0
32 mol 93 unq 7 iso 0 dist 9.12858 7.66728 9.4523 7.64463 5.51624 8.29171 11.0537 5.99269 7.14217 5.77343 numMergedOcc 0
33 mol 93 unq 7 iso 1 dist 9.4523 7.66728 9.12858 8.29171 5.51624 7.64463 7.14217 5.99269 11.0537 5.77343 numMergedOcc 0
34 mol 93 unq 8 iso 0 dist 9.12858 7.66728 9.4523 7.64463 5.51624 8.29171 12.0103 5.71763 12.9351 11.0802 numMergedOcc 0
35 mol 93 unq 8 iso 1 dist 9.4523 7.66728 9.12858 8.29171 5.51624 7.64463 12.9351 5.71763 12.0103 11.0802 numMergedOcc 0
36 mol 93 unq 9 iso 0 dist 9.12858 7.66728 9.4523 14.8533 7.8674 12.7936 12.4934 7.8435 10.8106 13.8087 numMergedOcc 0
37 mol 93 unq 9 iso 1 dist 9.4523 7.66728 9.12858 12.7936 7.8674 14.8533 10.8106 7.8435 12.4934 13.8087 numMergedOcc 0
38 mol 93 unq 10 iso 0 dist 9.12858 7.66728 9.4523 14.8533 7.8674 12.7936 11.0537 5.99269 7.14217 9.96831 numMergedOcc 0
39 mol 93 unq 10 iso 1 dist 9.4523 7.66728 9.12858 12.7936 7.8674 14.8533 7.14217 5.99269 11.0537 9.96831 numMergedOcc 0
40 mol 93 unq 11 iso 0 dist 9.12858 7.66728 9.4523 14.8533 7.8674 12.7936 12.0103 5.71763 12.9351 5.33894 numMergedOcc 0
41 mol 93 unq 11 iso 1 dist 9.4523 7.66728 9.12858 12.7936 7.8674 14.8533 12.9351 5.71763 12.0103 5.33894 numMergedOcc 0
42 mol 131 unq 0 iso 0 dist 9.15431 7.58238 6.92648 7.21005 7.76594 11.5688 4.57579 6.78801 8.57203 4.24991 numMergedOcc 0
43 mol 131 unq 0 iso 1 dist 6.92648 7.58238 9.15431 11.5688 7.76594 7.21005 8.57203 6.78801 4.57579 4.24991 numMergedOcc 0
44 mol 131 unq 1 iso 0 dist 9.15431 13.2572 9.29384 7.21005 7.76594 15.7796 4.57579 6.78801 12.6005 4.24991 numMergedOcc 0
45 mol 131 unq 1 iso 1 dist 9.29384 13.2572 9.15431 15.7796 7.76594 7.21005 12.6005 6.78801 4.57579 4.24991 numMergedOcc 0
46 mol 131 unq 1 iso 0 dist 6.92648 6.63273 9.29384 11.5688 7.76594 15.7796 8.57203 6.78801 12.6005 4.24991 numMergedOcc 0
47 mol 131 unq 1 iso 1 dist 9.29384 6.63273 6.92648 15.7796 7.76594 11.5688 12.6005 6.78801 8.57203 4.24991 numMergedOcc 0
48 mol 141 unq 0 iso 0 dist 6.69515 6.21253 7.86572 9.76015 8.26172 8.24418 13.2918 6.77921 13.4066 10.2834 numMergedOcc 0
49 mol 141 unq 0 iso 1 dist 7.86572 6.21253 6.69515 8.24418 8.26172 9.76015 13.4066 6.77921 13.2918 10.2834 numMergedOcc 0
50 mol 147 unq 0 iso 0 dist 5.49226 7.15222 6.28351 9.02993 9.23528 14.4247 12.068 9.43989 5.59468 17.3765 numMergedOcc 0
51 mol 147 unq 0 iso 1 dist 6.28351 7.15222 5.49226 14.4247 9.23528 9.02993 5.59468 9.43989 12.068 17.3765 numMergedOcc 0
52 mol 152 unq 0 iso 0 dist 9.77552 7.65448 8.28642 7.2238 6.39031 5.59336 12.4535 6.92726 9.84297 5.55763 numMergedOcc 0
53 mol 152 unq 0 iso 1 dist 8.28642 7.65448 9.77552 5.59336 6.39031 7.2238 9.84297 6.92726 12.4535 5.55763 numMergedOcc 0
54 mol 171 unq 0 iso 0 dist 7.71426 7.31409 5.10618 4.44751 7.82546 9.61561 11.8244 9.13027 13.9189 8.8243 numMergedOcc 0
55 mol 171 unq 0 iso 1 dist 5.10618 7.31409 7.71426 9.61561 7.82546 4.44751 13.9189 9.13027 11.8244 8.8243 numMergedOcc 0
56 mol 171 unq 1 iso 0 dist 7.71426 13.6814 9.86681 4.44751 7.82546 10.2067 11.8244 9.13027 8.25926 8.8243 numMergedOcc 0
57 mol 171 unq 1 iso 1 dist 9.86681 13.6814 7.71426 10.2067 7.82546 4.44751 8.25926 9.13027 11.8244 8.8243 numMergedOcc 0
58 mol 171 unq 1 iso 0 dist 5.10618 13.7214 9.86681 9.61561 7.82546 10.2067 13.9189 9.13027 8.25926 8.8243 numMergedOcc 0
59 mol 171 unq 1 iso 1 dist 9.86681 13.7214 5.10618 10.2067 7.82546 9.61561 8.25926 9.13027 13.9189 8.8243 numMergedOcc 0
60 mol 186 unq 0 iso 0 dist 9.56197 9.41955 7.24795 9.27818 7.55358 13.0197 6.89047 8.57801 3.90244 13.0608 numMergedOcc 0
61 mol 186 unq 0 iso 1 dist 7.24795 9.41955 9.56197 13.0197 7.55358 9.27818 3.90244 8.57801 6.89047 13.0608 numMergedOcc 0
62 mol 186 unq 1 iso 0 dist 9.56197 9.41955 7.24795 9.55926 7.60991 12.9082 6.89047 8.57801 3.90244 11.868 numMergedOcc 0
63 mol 186 unq 1 iso 1 dist 7.24795 9.41955 9.56197 12.9082 7.60991 9.55926 3.90244 8.57801 6.89047 11.868 numMergedOcc 0
64 mol 186 unq 2 iso 0 dist 9.56197 8.04815 8.64409 9.27818 7.55358 4.37002 6.89047 8.57801 12.6058 13.0608 numMergedOcc 0
65 mol 186 unq 2 iso 1 dist 8.64409 8.04815 9.56197 4.37002 7.55358 9.27818 12.6058 8.57801 6.89047 13.0608 numMergedOcc 0
66 mol 186 unq 3 iso 0 dist 9.56197 8.04815 8.64409 9.55926 7.60991 4.64235 6.89047 8.57801 12.6058 11.868 numMergedOcc 0
67 mol 186 unq 3 iso 1 dist 8.64409 8.04815 9.56197 4.64235 7.60991 9.55926 12.6058 8.57801 6.89047 11.868 numMergedOcc 0
68 mol 186 unq 4 iso 0 dist 9.56197 5.92513 7.60202 9.27818 7.55358 9.72941 6.89047 8.57801 7.21555 13.0608 numMergedOcc 0
69 mol 186 unq 4 iso 1 dist 7.60202 5.92513 9.56197 9.72941 7.55358 9.27818 7.21555 8.57801 6.89047 13.0608 numMergedOcc 0
70 mol 186 unq 5 iso 0 dist 9.56197 5.92513 7.60202 9.55926 7.60991 5.39885 6.89047 8.57801 7.21555 11.868 numMergedOcc 0
71 mol 186 unq 5 iso 1 dist 7.60202 5.92513 9.56197 5.39885 7.60991 9.55926 7.21555 8.57801 6.89047 11.868 numMergedOcc 0
72 mol 186 unq 2 iso 0 dist 7.24795 13.684 8.64409 13.0197 7.55358 4.37002 3.90244 8.57801 12.6058 13.0608 numMergedOcc 0
73 mol 186 unq 2 iso 1 dist 8.64409 13.684 7.24795 4.37002 7.55358 13.0197 12.6058 8.57801 3.90244 13.0608 numMergedOcc 0
74 mol 186 unq 3 iso 0 dist 7.24795 13.684 8.64409 12.9082 7.60991 4.64235 3.90244 8.57801 12.6058 11.868 numMergedOcc 0
75 mol 186 unq 3 iso 1 dist 8.64409 13.684 7.24795 4.64235 7.60991 12.9082 12.6058 8.57801 3.90244 11.868 numMergedOcc 0
76 mol 186 unq 4 iso 0 dist 7.24795 9.45987 7.60202 13.0197 7.55358 9.72941 3.90244 8.57801 7.21555 13.0608 numMergedOcc 0
77 mol 186 unq 4 iso 1 dist 7.60202 9.45987 7.24795 9.72941 7.55358 13.0197 7.21555 8.57801 3.90244 13.0608 numMergedOcc 0
78 mol 186 unq 5 iso 0 dist 7.24795 9.45987 7.60202 12.9082 7.60991 5.39885 3.90244 8.57801 7.21555 11.868 numMergedOcc 0
79 mol 186 unq 5 iso 1 dist 7.60202 9.45987 7.24795 5.39885 7.60991 12.9082 7.21555 8.57801 3.90244 11.868 numMergedOcc 0
80 mol 186 unq 4 iso 0 dist 8.64409 7.18269 7.60202 4.37002 7.55358 9.72941 12.6058 8.57801 7.21555 13.0608 numMergedOcc 0
81 mol 186 unq 4 iso 1 dist 7.60202 7.18269 8.64409 9.72941 7.55358 4.37002 7.21555 8.57801 12.6058 13.0608 numMergedOcc 0
82 mol 186 unq 5 iso 0 dist 8.64409 7.18269 7.60202 4.64235 7.60991 5.39885 12.6058 8.57801 7.21555 11.868 numMergedOcc 0
83 mol 186 unq 5 iso 1 dist 7.60202 7.18269 8.64409 5.39885 7.60991 4.64235 7.21555 8.57801 12.6058 11.868 numMergedOcc 0
84 mol 194 unq 0 iso 0 dist 6.26839 8.0179 8.12346 6.66155 5.52678 6.12973 10.0756 5.53324 10.2793 5.28603 numMergedOcc 0
85 mol 194 unq 0 iso 1 dist 8.12346 8.0179 6.26839 6.12973 5.52678 6.66155 10.2793 5.53324 10.0756 5.28603 numMergedOcc 0
86 mol 194 unq 1 iso 0 dist 6.26839 8.0179 8.12346 6.66155 5.52678 6.12973 11.8031 6.72182 9.09233 9.8803 numMergedOcc 0
87 mol 194 unq 1 iso 1 dist 8.12346 8.0179 6.26839 6.12973 5.52678 6.66155 9.09233 6.72182 11.8031 9.8803 numMergedOcc 0
88 mol 194 unq 2 iso 0 dist 6.26839 8.0179 8.12346 5.4499 9.81666 11.0239 10.0756 5.53324 10.2793 11.0713 numMergedOcc 0
89 mol 194 unq 2 iso 1 dist 8.12346 8.0179 6.26839 11.0239 9.81666 5.4499 10.2793 5.53324 10.0756 11.0713 numMergedOcc 0
90 mol 194 unq 3 iso 0 dist 6.26839 8.0179 8.12346 5.4499 9.81666 11.0239 11.8031 6.72182 9.09233 15.9964 numMergedOcc 0
91 mol 194 unq 3 iso 1 dist 8.12346 8.0179 6.26839 11.0239 9.81666 5.4499 9.09233 6.72182 11.8031 15.9964 numMergedOcc 0
92 mol 194 unq 4 iso 0 dist 6.26839 14.6506 8.83356 6.66155 5.52678 13.0333 10.0756 5.53324 10.463 5.28603 numMergedOcc 0
93 mol 194 unq 4 iso 1 dist 8.83356 14.6506 6.26839 13.0333 5.52678 6.66155 10.463 5.53324 10.0756 5.28603 numMergedOcc 0
94 mol 194 unq 5 iso 0 dist 6.26839 14.6506 8.83356 6.66155 5.52678 13.0333 11.8031 6.72182 4.66791 9.8803 numMergedOcc 0
95 mol 194 unq 5 iso 1 dist 8.83356 14.6506 6.26839 13.0333 5.52678 6.66155 4.66791 6.72182 11.8031 9.8803 numMergedOcc 0
96 mol 194 unq 6 iso 0 dist 6.26839 14.6506 8.83356 5.4499 9.81666 18.6469 10.0756 5.53324 10.463 11.0713 numMergedOcc 0
97 mol 194 unq 6 iso 1 dist 8.83356 14.6506 6.26839 18.6469 9.81666 5.4499 10.463 5.53324 10.0756 11.0713 numMergedOcc 0
98 mol 194 unq 7 iso 0 dist 6.26839 14.6506 8.83356 5.4499 9.81666 18.6469 11.8031 6.72182 4.66791 15.9964 numMergedOcc 0
99 mol 194 unq 7 iso 1 dist 8.83356 14.6506 6.26839 18.6469 9.81666 5.4499 4.66791 6.72182 11.8031 15.9964 numMergedOcc 0
100 mol 194 unq 8 iso 0 dist 6.26839 8.48054 8.2654 6.66155 5.52678 10.1796 10.0756 5.53324 12.8494 5.28603 numMergedOcc 0
101 mol 194 unq 8 iso 1 dist 8.2654 8.48054 6.26839 10.1796 5.52678 6.66155 12.8494 5.53324 10.0756 5.28603 numMergedOcc 0
102 mol 194 unq 9 iso 0 dist 6.26839 8.48054 8.2654 6.66155 5.52678 10.1796 11.8031 6.72182 7.73551 9.8803 numMergedOcc 0
103 mol 194 unq 9 iso 1 dist 8.2654 8.48054 6.26839 10.1796 5.52678 6.66155 7.73551 6.72182 11.8031 9.8803 numMergedOcc 0
104 mol 194 unq 10 iso 0 dist 6.26839 8.48054 8.2654 5.4499 9.81666 13.5457 10.0756 5.53324 12.8494 11.0713 numMergedOcc 0
105 mol 194 unq 10 iso 1 dist 8.2654 8.48054 6.26839 13.5457 9.81666 5.4499 12.8494 5.53324 10.0756 11.0713 numMergedOcc 0
106 mol 194 unq 11 iso 0 dist 6.26839 8.48054 8.2654 5.4499 9.81666 13.5457 11.8031 6.72182 7.73551 15.9964 numMergedOcc 0
107 mol 194 unq 11 iso 1 dist 8.2654 8.48054 6.26839 13.5457 9.81666 5.4499 7.73551 6.72182 11.8031 15.9964 numMergedOcc 0
108 mol 194 unq 4 iso 0 dist 8.12346 13.5632 8.83356 6.12973 5.52678 13.0333 10.2793 5.53324 10.463 5.28603 numMergedOcc 0
109 mol 194 unq 4 iso 1 dist 8.83356 13.5632 8.12346 13.0333 5.52678 6.12973 10.463 5.53324 10.2793 5.28603 numMergedOcc 0
110 mol 194 unq 5 iso 0 dist 8.12346 13.5632 8.83356 6.12973 5.52678 13.0333 9.09233 6.72182 4.66791 9.8803 numMergedOcc 0
111 mol 194 unq 5 iso 1 dist 8.83356 13.5632 8.12346 13.0333 5.52678 6.12973 4.66791 6.72182 9.09233 9.8803 numMergedOcc 0
112 mol 194 unq 6 iso 0 dist 8.12346 13.5632 8.83356 11.0239 9.81666 18.6469 10.2793 5.53324 10.463 11.0713 numMergedOcc 0
113 mol 194 unq 6 iso 1 dist 8.83356 13.5632 8.12346 18.6469 9.81666 11.0239 10.463 5.53324 10.2793 11.0713 numMergedOcc 0
114 mol 194 unq 7 iso 0 dist 8.12346 13.5632 8.83356 11.0239 9.81666 18.6469 9.09233 6.72182 4.66791 15.9964 numMergedOcc 0
115 mol 194 unq 7 iso 1 dist 8.83356 13.5632 8.12346 18.6469 9.81666 11.0239 4.66791 6.72182 9.09233 15.9964 numMergedOcc 0
116 mol 194 unq 8 iso 0 dist 8.12346 6.26298 8.2654 6.12973 5.52678 10.1796 10.2793 5.53324 12.8494 5.28603 numMergedOcc 0
117 mol 194 unq 8 iso 1 dist 8.2654 6.26298 8.12346 10.1796 5.52678 6.12973 12.8494 5.53324 10.2793 5.28603 numMergedOcc 0
118 mol 194 unq 9 iso 0 dist 8.12346 6.26298 8.2654 6.12973 5.52678 10.1796 9.09233 6.72182 7.73551 9.8803 numMergedOcc 0
119 mol 194 unq 9 iso 1 dist 8.2654 6.26298 8.12346 10.1796 5.52678 6.12973 7.73551 6.72182 9.09233 9.8803 numMergedOcc 0
120 mol 194 unq 10 iso 0 dist 8.12346 6.26298 8.2654 11.0239 9.81666 13.5457 10.2793 5.53324 12.8494 11.0713 numMergedOcc 0
121 mol 194 unq 10 iso 1 dist 8.2654 6.26298 8.12346 13.5457 9.81666 11.0239 12.8494 5.53324 10.2793 11.0713 numMergedOcc 0
122 mol 194 unq 11 iso 0 dist 8.12346 6.26298 8.2654 11.0239 9.81666 13.5457 9.09233 6.72182 7.73551 15.9964 numMergedOcc 0
123 mol 194 unq 11 iso 1 dist 8.2654 6.26298 8.12346 13.5457 9.81666 11.0239 7.73551 6.72182 9.09233 15.9964 numMergedOcc 0
124 mol 194 unq 8 iso 0 dist 8.83356 11.6097 8.2654 13.0333 5.52678 10.1796 10.463 5.53324 12.8494 5.28603 numMergedOcc 0
125 mol 194 unq 8 iso 1 dist 8.2654 11.6097 8.83356 10.1796 5.52678 13.0333 12.8494 5.53324 10.463 5.28603 numMergedOcc 0
126 mol 194 unq 9 iso 0 dist 8.83356 11.6097 8.2654 13.0333 5.52678 10.1796 4.66791 6.72182 7.73551 9.8803 numMergedOcc 0
127 mol 194 unq 9 iso 1 dist 8.2654 11.6097 8.83356 10.1796 5.52678 13.0333 7.73551 6.72182 4.66791 9.8803 numMergedOcc 0
128 mol 194 unq 10 iso 0 dist 8.83356 11.6097 8.2654 18.6469 9.81666 13.5457 10.463 5.53324 12.8494 11.0713 numMergedOcc 0
129 mol 194 unq 10 iso 1 dist 8.2654 11.6097 8.83356 13.5457 9.81666 18.6469 12.8494 5.53324 10.463 11.0713 numMergedOcc 0
130 mol 194 unq 11 iso 0 dist 8.83356 11.6097 8.2654 18.6469 9.81666 13.5457 4.66791 6.72182 7.73551 15.9964 numMergedOcc 0
131 mol 194 unq 11 iso 1 dist 8.2654 11.6097 8.83356 13.5457 9.81666 18.6469 7.73551 6.72182 4.66791 15.9964 numMergedOcc 0
132 mol 218 unq 0 iso 0 dist 8.86175 4.72474 6.29511 9.46742 9.06334 11.438 3.8877 8.04838 6.0516 7.92114 numMergedOcc 0
133 mol 218 unq 0 iso 1 dist 6.29511 4.72474 8.86175 11.438 9.06334 9.46742 6.0516 8.04838 3.8877 7.92114 numMergedOcc 0
134 mol 227 unq 0 iso 0 dist 8.38865 5.22356 5.4694 10.5813 9.56257 7.22396 4.1511 5.28771 4.69247 11.2819 numMergedOcc 0
135 mol 227 unq 0 iso 1 dist 5.4694 5.22356 8.38865 7.22396 9.56257 10.5813 4.69247 5.28771 4.1511 11.2819 numMergedOcc 0
136 mol 252 unq 0 iso 0 dist 6.53679 6.0987 7.50201 6.28227 8.55481 5.25252 5.6214 5.9974 7.40852 4.34126 numMergedOcc 0
137 mol 252 unq 0 iso 1 dist 7.50201 6.0987 6.53679 5.25252 8.55481 6.28227 7.40852 5.9974 5.6214 4.34126 numMergedOcc 0
138 mol 264 unq 0 iso 0 dist 7.52281 8.96144 6.42588 4.48907 5.74568 10.1591 5.71153 6.02757 6.56539 5.82131 numMergedOcc 0
139 mol 264 unq 0 iso 1 dist 6.42588 8.96144 7.52281 10.1591 5.74568 4.48907 6.56539 6.02757 5.71153 5.82131 numMergedOcc 0
140 mol 264 unq 1 iso 0 dist 7.52281 8.96144 6.42588 4.48907 5.74568 10.1591 6.87635 8.67231 4.76241 9.58444 numMergedOcc 0
141 mol 264 unq 1 iso 1 dist 6.42588 8.96144 7.52281 10.1591 5.74568 4.48907 4.76241 8.67231 6.87635 9.58444 numMergedOcc 0
142 mol 264 unq 2 iso 0 dist 6.04162 4.92077 6.14323 6.84156 5.74568 9.37297 11.4167 7.14086 13.2035 7.36132 numMergedOcc 0
143 mol 264 unq 2 iso 1 dist 6.14323 4.92077 6.04162 9.37297 5.74568 6.84156 13.2035 7.14086 11.4167 7.36132 numMergedOcc 0
