0 mol 7 unq 0 iso 0 dist 8.77133 15.8567 9.36807 14.6456 6.57017 7.31201 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.6008 10.0039 8.78293 14.1804 12.7954 8.23643 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.6008 10.0039 8.78293 17.7858 14.7664 7.82528 numMergedOcc 0
3 mol 39 unq 0 iso 0 dist 9.83017 12.1709 7.45237 13.7236 4.85203 7.33969 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 5.1736 8.11238 7.45237 9.22231 4.85203 7.33969 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 9.9648 5.72191 6.46761 12.8759 6.44201 7.58407 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 9.9648 10.3384 9.73139 12.8759 6.44201 6.31428 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 7.77991 6.43864 9.80142 5.1488 6.23335 9.54144 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 5.1488 6.43864 9.54144 7.77991 6.23335 9.80142 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 9.7198 7.50148 7.04352 10.4064 14.4772 8.1114 numMergedOcc 0
10 mol 70 unq 0 iso 0 dist 6.22308 5.43139 7.92394 7.0495 4.25121 9.93423 numMergedOcc 0
11 mol 70 unq 1 iso 0 dist 6.22308 5.43139 7.92394 10.2795 13.6636 9.34122 numMergedOcc 0
12 mol 70 unq 2 iso 0 dist 7.0495 5.43139 9.93423 6.22308 4.25121 7.92394 numMergedOcc 0
13 mol 70 unq 3 iso 0 dist 7.0495 5.43139 9.93423 10.2795 12.434 9.34122 numMergedOcc 0
14 mol 87 unq 0 iso 0 dist 9.53368 5.30415 7.51358 6.54532 8.12939 8.93296 numMergedOcc 0
15 mol 87 unq 1 iso 0 dist 6.54532 5.30415 8.93296 9.53368 8.12939 7.51358 numMergedOcc 0
16 mol 87 unq 2 iso 0 dist 9.64421 14.9517 7.51358 14.5217 8.12939 8.93296 numMergedOcc 0
17 mol 87 unq 3 iso 0 dist 6.72471 10.4977 7.51358 13.3426 8.12939 8.93296 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 8.28884 8.22558 9.12581 9.9263 6.09983 7.66168 numMergedOcc 0
19 mol 130 unq 1 iso 0 dist 8.28884 5.21262 8.74308 9.9263 6.09983 6.89257 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 9.77059 8.78324 9.38946 12.5457 5.68272 7.36102 numMergedOcc 0
21 mol 155 unq 1 iso 0 dist 9.18489 5.4783 8.65888 14.4685 10.1369 9.87281 numMergedOcc 0
22 mol 155 unq 2 iso 0 dist 9.18489 5.4783 8.65888 11.6121 5.44147 8.27111 numMergedOcc 0
23 mol 155 unq 3 iso 0 dist 9.18489 5.88096 7.70572 13.0413 9.42764 7.39644 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 7.39743 5.38569 7.37327 11.2112 6.46849 7.98142 numMergedOcc 0
25 mol 197 unq 0 iso 0 dist 8.4273 17.4229 8.99696 22.4573 14.5931 7.85058 numMergedOcc 0
26 mol 197 unq 1 iso 0 dist 8.4273 17.4229 8.99696 13.9723 8.44549 9.96638 numMergedOcc 0
27 mol 198 unq 0 iso 0 dist 9.3526 6.51118 7.21533 11.9704 5.17341 7.90031 numMergedOcc 0
28 mol 213 unq 0 iso 0 dist 9.56792 9.82257 6.0965 9.94758 6.04429 9.59129 numMergedOcc 0
29 mol 213 unq 1 iso 0 dist 7.48151 7.71164 6.68292 8.58039 4.8814 4.26212 numMergedOcc 0
30 mol 213 unq 2 iso 0 dist 8.58039 7.71164 4.26212 7.48151 4.8814 6.68292 numMergedOcc 0
31 mol 228 unq 0 iso 0 dist 6.66395 9.90664 9.42615 13.5359 8.57673 8.06181 numMergedOcc 0
32 mol 228 unq 1 iso 0 dist 8.2286 12.8654 8.06181 13.3836 8.57673 9.42615 numMergedOcc 0
33 mol 228 unq 2 iso 0 dist 6.51052 9.86331 9.06121 13.2949 8.22089 7.77367 numMergedOcc 0
34 mol 228 unq 3 iso 0 dist 8.5965 13.0265 7.77367 13.1883 8.22089 9.06121 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 8.64747 5.54495 7.39747 5.91933 4.89061 8.1777 numMergedOcc 0
36 mol 239 unq 1 iso 0 dist 5.91933 5.54495 8.1777 8.64747 4.89061 7.39747 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 8.11173 5.09322 6.4778 11.9954 11.01 7.04472 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 8.11173 5.09322 6.4778 11.9954 11.01 7.04472 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 8.11173 5.09322 6.4778 11.9954 11.01 7.04472 numMergedOcc 0
40 mol 293 unq 0 iso 0 dist 9.94817 10.5736 9.97212 14.5077 7.08365 9.47908 numMergedOcc 0
