0 mol 7 unq 0 iso 0 dist 9.34656 15.0884 6.36911 6.3236 9.36807 13.2247 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.34656 6.3236 9.36807 15.0884 6.36911 13.2247 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.25905 7.43559 8.52106 10.1793 6.32451 5.51376 numMergedOcc 0
3 mol 18 unq 0 iso 1 dist 8.25905 10.1793 6.32451 7.43559 8.52106 5.51376 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 8.71628 6.98731 6.4934 12.0498 6.93199 8.77584 numMergedOcc 0
5 mol 20 unq 0 iso 1 dist 8.71628 12.0498 6.93199 6.98731 6.4934 8.77584 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 5.97065 7.89671 8.82012 10.1933 9.16962 13.2136 numMergedOcc 0
7 mol 26 unq 0 iso 1 dist 5.97065 10.1933 9.16962 7.89671 8.82012 13.2136 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 8.06918 9.17087 8.33704 5.33532 7.92394 5.22626 numMergedOcc 0
9 mol 70 unq 0 iso 1 dist 8.06918 5.33532 7.92394 9.17087 8.33704 5.22626 numMergedOcc 0
10 mol 70 unq 1 iso 0 dist 8.56968 12.189 8.33704 7.6455 7.92394 5.22626 numMergedOcc 0
11 mol 70 unq 1 iso 1 dist 8.56968 7.6455 7.92394 12.189 8.33704 5.22626 numMergedOcc 0
12 mol 70 unq 2 iso 0 dist 7.70428 9.32366 8.33704 7.61147 7.92394 5.22626 numMergedOcc 0
13 mol 70 unq 2 iso 1 dist 7.70428 7.61147 7.92394 9.32366 8.33704 5.22626 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 9.9443 5.82808 9.39469 10.2548 4.76815 6.90824 numMergedOcc 0
15 mol 100 unq 0 iso 1 dist 9.9443 10.2548 4.76815 5.82808 9.39469 6.90824 numMergedOcc 0
16 mol 126 unq 0 iso 0 dist 6.35364 8.50279 7.75534 5.68478 9.06011 7.12167 numMergedOcc 0
17 mol 126 unq 0 iso 1 dist 6.35364 5.68478 9.06011 8.50279 7.75534 7.12167 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 9.80337 10.3931 7.34519 5.84594 8.58999 5.55757 numMergedOcc 0
19 mol 127 unq 0 iso 1 dist 9.80337 5.84594 8.58999 10.3931 7.34519 5.55757 numMergedOcc 0
20 mol 127 unq 1 iso 0 dist 9.80337 10.3931 7.34519 5.0826 6.63981 6.16471 numMergedOcc 0
21 mol 127 unq 1 iso 1 dist 9.80337 5.0826 6.63981 10.3931 7.34519 6.16471 numMergedOcc 0
22 mol 127 unq 1 iso 0 dist 9.80337 5.84594 8.58999 5.0826 6.63981 4.48524 numMergedOcc 0
23 mol 127 unq 1 iso 1 dist 9.80337 5.0826 6.63981 5.84594 8.58999 4.48524 numMergedOcc 0
24 mol 140 unq 0 iso 0 dist 9.7944 10.2481 6.95323 7.49203 7.27371 6.43459 numMergedOcc 0
25 mol 140 unq 0 iso 1 dist 9.7944 7.49203 7.27371 10.2481 6.95323 6.43459 numMergedOcc 0
26 mol 140 unq 1 iso 0 dist 9.38836 5.73219 6.95323 11.5485 7.27371 6.43459 numMergedOcc 0
27 mol 140 unq 1 iso 1 dist 9.38836 11.5485 7.27371 5.73219 6.95323 6.43459 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 7.13287 5.01665 7.31468 4.9475 7.7056 5.72828 numMergedOcc 0
29 mol 143 unq 0 iso 1 dist 7.13287 4.9475 7.7056 5.01665 7.31468 5.72828 numMergedOcc 0
30 mol 184 unq 0 iso 0 dist 7.09847 4.59843 9.52936 5.66847 9.15417 5.43299 numMergedOcc 0
31 mol 184 unq 0 iso 1 dist 7.09847 5.66847 9.15417 4.59843 9.52936 5.43299 numMergedOcc 0
32 mol 194 unq 0 iso 0 dist 9.20864 13.9921 6.95408 10.0058 9.57538 8.2172 numMergedOcc 0
33 mol 194 unq 0 iso 1 dist 9.20864 10.0058 9.57538 13.9921 6.95408 8.2172 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 9.20864 13.9921 6.95408 7.93019 9.2285 10.5623 numMergedOcc 0
35 mol 194 unq 1 iso 1 dist 9.20864 7.93019 9.2285 13.9921 6.95408 10.5623 numMergedOcc 0
36 mol 194 unq 2 iso 0 dist 9.20864 13.9921 6.95408 5.58057 7.58278 11.7618 numMergedOcc 0
37 mol 194 unq 2 iso 1 dist 9.20864 5.58057 7.58278 13.9921 6.95408 11.7618 numMergedOcc 0
38 mol 194 unq 1 iso 0 dist 9.20864 10.0058 9.57538 7.93019 9.2285 4.53419 numMergedOcc 0
39 mol 194 unq 1 iso 1 dist 9.20864 7.93019 9.2285 10.0058 9.57538 4.53419 numMergedOcc 0
40 mol 194 unq 2 iso 0 dist 9.20864 10.0058 9.57538 5.58057 7.58278 8.12479 numMergedOcc 0
41 mol 194 unq 2 iso 1 dist 9.20864 5.58057 7.58278 10.0058 9.57538 8.12479 numMergedOcc 0
42 mol 194 unq 2 iso 0 dist 9.20864 7.93019 9.2285 5.58057 7.58278 4.40125 numMergedOcc 0
43 mol 194 unq 2 iso 1 dist 9.20864 5.58057 7.58278 7.93019 9.2285 4.40125 numMergedOcc 0
44 mol 213 unq 0 iso 0 dist 6.38872 7.17515 8.45368 7.18317 9.59129 13.7995 numMergedOcc 0
45 mol 213 unq 0 iso 1 dist 6.38872 7.18317 9.59129 7.17515 8.45368 13.7995 numMergedOcc 0
46 mol 218 unq 0 iso 0 dist 5.66171 12.0404 7.17547 7.82717 7.13323 7.83217 numMergedOcc 0
47 mol 218 unq 0 iso 1 dist 5.66171 7.82717 7.13323 12.0404 7.17547 7.83217 numMergedOcc 0
48 mol 235 unq 0 iso 0 dist 9.24964 6.70342 9.58736 6.38281 9.43058 9.85037 numMergedOcc 0
49 mol 235 unq 0 iso 1 dist 9.24964 6.38281 9.43058 6.70342 9.58736 9.85037 numMergedOcc 0
50 mol 235 unq 1 iso 0 dist 9.24964 6.70342 9.58736 10.6146 8.75735 13.6669 numMergedOcc 0
51 mol 235 unq 1 iso 1 dist 9.24964 10.6146 8.75735 6.70342 9.58736 13.6669 numMergedOcc 0
52 mol 235 unq 2 iso 0 dist 9.24964 6.70342 9.58736 14.8599 6.98084 16.4493 numMergedOcc 0
53 mol 235 unq 2 iso 1 dist 9.24964 14.8599 6.98084 6.70342 9.58736 16.4493 numMergedOcc 0
54 mol 235 unq 3 iso 0 dist 9.24964 6.70342 9.58736 16.2392 7.32211 15.4 numMergedOcc 0
55 mol 235 unq 3 iso 1 dist 9.24964 16.2392 7.32211 6.70342 9.58736 15.4 numMergedOcc 0
56 mol 235 unq 1 iso 0 dist 9.24964 6.38281 9.43058 10.6146 8.75735 5.52217 numMergedOcc 0
57 mol 235 unq 1 iso 1 dist 9.24964 10.6146 8.75735 6.38281 9.43058 5.52217 numMergedOcc 0
58 mol 235 unq 2 iso 0 dist 9.24964 6.38281 9.43058 14.8599 6.98084 14.4362 numMergedOcc 0
59 mol 235 unq 2 iso 1 dist 9.24964 14.8599 6.98084 6.38281 9.43058 14.4362 numMergedOcc 0
60 mol 235 unq 3 iso 0 dist 9.24964 6.38281 9.43058 16.2392 7.32211 14.4107 numMergedOcc 0
61 mol 235 unq 3 iso 1 dist 9.24964 16.2392 7.32211 6.38281 9.43058 14.4107 numMergedOcc 0
62 mol 235 unq 2 iso 0 dist 9.24964 10.6146 8.75735 14.8599 6.98084 11.3519 numMergedOcc 0
63 mol 235 unq 2 iso 1 dist 9.24964 14.8599 6.98084 10.6146 8.75735 11.3519 numMergedOcc 0
64 mol 235 unq 3 iso 0 dist 9.24964 10.6146 8.75735 16.2392 7.32211 11.3789 numMergedOcc 0
65 mol 235 unq 3 iso 1 dist 9.24964 16.2392 7.32211 10.6146 8.75735 11.3789 numMergedOcc 0
66 mol 235 unq 3 iso 0 dist 9.24964 14.8599 6.98084 16.2392 7.32211 7.218 numMergedOcc 0
67 mol 235 unq 3 iso 1 dist 9.24964 16.2392 7.32211 14.8599 6.98084 7.218 numMergedOcc 0
68 mol 235 unq 4 iso 0 dist 5.71896 6.01036 9.58736 4.99641 9.43058 9.85037 numMergedOcc 0
69 mol 235 unq 4 iso 1 dist 5.71896 4.99641 9.43058 6.01036 9.58736 9.85037 numMergedOcc 0
70 mol 235 unq 5 iso 0 dist 5.71896 6.01036 9.58736 7.72505 8.75735 13.6669 numMergedOcc 0
71 mol 235 unq 5 iso 1 dist 5.71896 7.72505 8.75735 6.01036 9.58736 13.6669 numMergedOcc 0
72 mol 235 unq 6 iso 0 dist 5.71896 6.01036 9.58736 12.2179 6.98084 16.4493 numMergedOcc 0
73 mol 235 unq 6 iso 1 dist 5.71896 12.2179 6.98084 6.01036 9.58736 16.4493 numMergedOcc 0
74 mol 235 unq 7 iso 0 dist 5.71896 6.01036 9.58736 11.7282 7.32211 15.4 numMergedOcc 0
75 mol 235 unq 7 iso 1 dist 5.71896 11.7282 7.32211 6.01036 9.58736 15.4 numMergedOcc 0
76 mol 235 unq 5 iso 0 dist 5.71896 4.99641 9.43058 7.72505 8.75735 5.52217 numMergedOcc 0
77 mol 235 unq 5 iso 1 dist 5.71896 7.72505 8.75735 4.99641 9.43058 5.52217 numMergedOcc 0
78 mol 235 unq 6 iso 0 dist 5.71896 4.99641 9.43058 12.2179 6.98084 14.4362 numMergedOcc 0
79 mol 235 unq 6 iso 1 dist 5.71896 12.2179 6.98084 4.99641 9.43058 14.4362 numMergedOcc 0
80 mol 235 unq 7 iso 0 dist 5.71896 4.99641 9.43058 11.7282 7.32211 14.4107 numMergedOcc 0
81 mol 235 unq 7 iso 1 dist 5.71896 11.7282 7.32211 4.99641 9.43058 14.4107 numMergedOcc 0
82 mol 235 unq 6 iso 0 dist 5.71896 7.72505 8.75735 12.2179 6.98084 11.3519 numMergedOcc 0
83 mol 235 unq 6 iso 1 dist 5.71896 12.2179 6.98084 7.72505 8.75735 11.3519 numMergedOcc 0
84 mol 235 unq 7 iso 0 dist 5.71896 7.72505 8.75735 11.7282 7.32211 11.3789 numMergedOcc 0
85 mol 235 unq 7 iso 1 dist 5.71896 11.7282 7.32211 7.72505 8.75735 11.3789 numMergedOcc 0
86 mol 235 unq 7 iso 0 dist 5.71896 12.2179 6.98084 11.7282 7.32211 7.218 numMergedOcc 0
87 mol 235 unq 7 iso 1 dist 5.71896 11.7282 7.32211 12.2179 6.98084 7.218 numMergedOcc 0
88 mol 235 unq 8 iso 0 dist 8.3229 17.1296 9.58736 12.86 9.43058 9.85037 numMergedOcc 0
89 mol 235 unq 8 iso 1 dist 8.3229 12.86 9.43058 17.1296 9.58736 9.85037 numMergedOcc 0
90 mol 235 unq 9 iso 0 dist 8.3229 17.1296 9.58736 9.39763 8.75735 13.6669 numMergedOcc 0
91 mol 235 unq 9 iso 1 dist 8.3229 9.39763 8.75735 17.1296 9.58736 13.6669 numMergedOcc 0
92 mol 235 unq 10 iso 0 dist 8.3229 17.1296 9.58736 4.29928 6.98084 16.4493 numMergedOcc 0
93 mol 235 unq 10 iso 1 dist 8.3229 4.29928 6.98084 17.1296 9.58736 16.4493 numMergedOcc 0
94 mol 235 unq 11 iso 0 dist 8.3229 17.1296 9.58736 10.1212 7.32211 15.4 numMergedOcc 0
95 mol 235 unq 11 iso 1 dist 8.3229 10.1212 7.32211 17.1296 9.58736 15.4 numMergedOcc 0
96 mol 235 unq 9 iso 0 dist 8.3229 12.86 9.43058 9.39763 8.75735 5.52217 numMergedOcc 0
97 mol 235 unq 9 iso 1 dist 8.3229 9.39763 8.75735 12.86 9.43058 5.52217 numMergedOcc 0
98 mol 235 unq 10 iso 0 dist 8.3229 12.86 9.43058 4.29928 6.98084 14.4362 numMergedOcc 0
99 mol 235 unq 10 iso 1 dist 8.3229 4.29928 6.98084 12.86 9.43058 14.4362 numMergedOcc 0
100 mol 235 unq 11 iso 0 dist 8.3229 12.86 9.43058 10.1212 7.32211 14.4107 numMergedOcc 0
101 mol 235 unq 11 iso 1 dist 8.3229 10.1212 7.32211 12.86 9.43058 14.4107 numMergedOcc 0
102 mol 235 unq 10 iso 0 dist 8.3229 9.39763 8.75735 4.29928 6.98084 11.3519 numMergedOcc 0
103 mol 235 unq 10 iso 1 dist 8.3229 4.29928 6.98084 9.39763 8.75735 11.3519 numMergedOcc 0
104 mol 235 unq 11 iso 0 dist 8.3229 9.39763 8.75735 10.1212 7.32211 11.3789 numMergedOcc 0
105 mol 235 unq 11 iso 1 dist 8.3229 10.1212 7.32211 9.39763 8.75735 11.3789 numMergedOcc 0
106 mol 235 unq 11 iso 0 dist 8.3229 4.29928 6.98084 10.1212 7.32211 7.218 numMergedOcc 0
107 mol 235 unq 11 iso 1 dist 8.3229 10.1212 7.32211 4.29928 6.98084 7.218 numMergedOcc 0
108 mol 238 unq 0 iso 0 dist 6.62086 13.6971 9.68513 7.30165 9.29858 10.1648 numMergedOcc 0
109 mol 238 unq 0 iso 1 dist 6.62086 7.30165 9.29858 13.6971 9.68513 10.1648 numMergedOcc 0
110 mol 238 unq 1 iso 0 dist 6.50118 11.0996 9.68513 5.18833 9.29858 10.1648 numMergedOcc 0
111 mol 238 unq 1 iso 1 dist 6.50118 5.18833 9.29858 11.0996 9.68513 10.1648 numMergedOcc 0
112 mol 238 unq 2 iso 0 dist 6.19297 11.4969 9.90142 6.33281 5.9216 5.40359 numMergedOcc 0
113 mol 238 unq 2 iso 1 dist 6.19297 6.33281 5.9216 11.4969 9.90142 5.40359 numMergedOcc 0
114 mol 238 unq 3 iso 0 dist 9.3099 11.1632 9.90142 11.0996 5.9216 5.40359 numMergedOcc 0
115 mol 238 unq 3 iso 1 dist 9.3099 11.0996 5.9216 11.1632 9.90142 5.40359 numMergedOcc 0
