0 mol 15 unq 0 iso 0 dist 8.85174 6.67334 9.51568 10.1154 6.23015 6.19131 6.42748 5.20798 6.50647 6.03257 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.48085 12.1492 8.53931 6.08585 6.53269 6.06874 13.8469 5.38592 6.63839 8.88938 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.48085 12.1492 8.53931 9.15781 9.81524 5.16935 13.8469 5.38592 6.63839 10.4292 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 9.49421 4.70708 8.53931 5.77929 6.53269 6.06874 9.01548 5.38592 6.63839 8.88938 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 9.49421 4.70708 8.53931 6.68639 9.81524 5.16935 9.01548 5.38592 6.63839 10.4292 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.12845 14.1424 9.06516 6.04762 6.81793 11.553 13.6548 5.29055 6.15893 10.157 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 9.12845 14.1424 9.06516 6.04762 6.81793 11.553 10.3756 4.76998 5.497 6.56527 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 9.76379 5.59971 6.52939 6.79583 7.43127 6.49291 14.2829 9.51372 9.63599 9.78384 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.10496 8.70415 6.61111 7.94178 9.84703 10.2677 6.7117 3.94967 6.0129 7.36769 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 5.10496 8.70415 6.61111 4.4057 4.62494 5.71029 6.7117 3.94967 6.0129 6.88901 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 9.64383 12.0058 4.44979 18.5442 9.25444 10.2677 12.5931 3.92737 6.0129 7.36769 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 9.64383 12.0058 4.44979 16.4267 8.46823 5.71029 12.5931 3.92737 6.0129 6.88901 numMergedOcc 0
12 mol 98 unq 4 iso 0 dist 5.92242 9.74284 6.61111 15.7178 9.84703 10.2677 9.42961 3.94967 6.0129 7.36769 numMergedOcc 0
13 mol 98 unq 5 iso 0 dist 5.92242 9.74284 6.61111 7.42446 4.62494 5.71029 9.42961 3.94967 6.0129 6.88901 numMergedOcc 0
14 mol 98 unq 6 iso 0 dist 7.54889 10.0962 4.44979 9.85543 9.25444 10.2677 4.47349 3.92737 6.0129 7.36769 numMergedOcc 0
15 mol 98 unq 7 iso 0 dist 7.54889 10.0962 4.44979 9.67482 8.46823 5.71029 4.47349 3.92737 6.0129 6.88901 numMergedOcc 0
16 mol 98 unq 8 iso 0 dist 5.2571 10.0962 6.61111 9.85543 9.84703 10.2677 4.47349 3.94967 6.0129 7.36769 numMergedOcc 0
17 mol 98 unq 9 iso 0 dist 5.2571 10.0962 6.61111 9.67482 4.62494 5.71029 4.47349 3.94967 6.0129 6.88901 numMergedOcc 0
18 mol 98 unq 10 iso 0 dist 7.78931 11.2452 4.44979 7.28361 9.25444 10.2677 5.65185 3.92737 6.0129 7.36769 numMergedOcc 0
19 mol 98 unq 11 iso 0 dist 7.78931 11.2452 4.44979 12.0974 8.46823 5.71029 5.65185 3.92737 6.0129 6.88901 numMergedOcc 0
20 mol 98 unq 12 iso 0 dist 8.7497 11.2452 6.61111 7.28361 9.84703 10.2677 5.65185 3.94967 6.0129 7.36769 numMergedOcc 0
21 mol 98 unq 13 iso 0 dist 8.7497 11.2452 6.61111 12.0974 4.62494 5.71029 5.65185 3.94967 6.0129 6.88901 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 8.95212 16.7975 9.08536 5.13589 8.67537 15.4934 22.9076 14.9264 7.26955 20.4776 numMergedOcc 0
23 mol 119 unq 1 iso 0 dist 6.99446 7.36192 9.08536 10.8661 8.67537 15.4934 14.2293 14.9264 7.26955 20.4776 numMergedOcc 0
24 mol 119 unq 2 iso 0 dist 7.64052 10.6679 9.08536 12.0175 8.67537 15.4934 17.9198 14.9264 7.26955 20.4776 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 8.77023 9.53782 8.55349 4.54648 8.83732 11.5342 14.4764 11.4316 7.41399 17.3163 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 8.77023 9.53782 8.55349 4.54648 8.83732 11.5342 12.7901 12.3375 8.21165 16.4974 numMergedOcc 0
27 mol 133 unq 2 iso 0 dist 8.77023 9.53782 8.55349 4.54648 8.83732 11.5342 11.8524 4.10674 8.97945 12.7754 numMergedOcc 0
28 mol 133 unq 3 iso 0 dist 8.77023 9.53782 8.55349 4.54648 8.83732 11.5342 10.9581 6.24625 9.50664 8.95662 numMergedOcc 0
29 mol 133 unq 4 iso 0 dist 8.77023 9.53782 8.55349 4.54648 8.83732 11.5342 12.5696 6.11861 6.71555 12.6757 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 9.10524 14.0644 5.73203 6.98221 7.83568 12.2578 12.5366 4.07076 6.21403 10.5367 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 9.00918 5.9915 5.73203 14.2198 7.83568 12.2578 11.2937 4.07076 6.21403 10.5367 numMergedOcc 0
32 mol 167 unq 0 iso 0 dist 6.84752 7.69326 7.30954 4.64019 8.86449 6.09121 11.6896 5.95858 7.80054 12.5323 numMergedOcc 0
33 mol 167 unq 1 iso 0 dist 7.86563 9.46955 7.30954 5.90938 8.86449 6.09121 12.8466 5.95858 7.80054 12.5323 numMergedOcc 0
34 mol 167 unq 2 iso 0 dist 7.02548 6.36909 7.30954 7.08726 8.86449 6.09121 9.67741 5.95858 7.80054 12.5323 numMergedOcc 0
35 mol 168 unq 0 iso 0 dist 6.02086 8.67522 7.06851 12.9045 9.42807 4.77731 7.44629 4.02702 7.60254 10.0169 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 6.64173 6.7991 9.09234 5.63555 8.12266 11.5017 5.94469 4.98436 7.05653 10.3104 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 9.01624 6.7991 6.76746 7.20191 5.99437 7.30555 5.94469 11.9796 7.05653 11.8933 numMergedOcc 0
38 mol 181 unq 2 iso 0 dist 9.55105 6.7991 8.92098 5.63555 9.43306 11.5017 5.94469 12.3589 7.05653 10.3104 numMergedOcc 0
39 mol 181 unq 3 iso 0 dist 9.55105 6.7991 8.92098 7.20191 8.4848 7.30555 5.94469 12.3589 7.05653 11.8933 numMergedOcc 0
40 mol 181 unq 4 iso 0 dist 5.05973 8.35755 6.76746 5.48529 5.99437 7.30555 14.8638 11.9796 7.05653 11.8933 numMergedOcc 0
41 mol 267 unq 0 iso 0 dist 8.8293 7.11419 5.08174 9.14203 6.27154 10.0939 13.8725 5.68457 9.01354 9.49204 numMergedOcc 0
42 mol 267 unq 1 iso 0 dist 7.34981 6.45566 5.08174 8.37094 6.27154 10.0939 10.2761 5.68457 9.01354 9.49204 numMergedOcc 0
43 mol 274 unq 0 iso 0 dist 6.4611 5.31116 6.66172 9.5468 9.65868 12.625 10.5387 5.39432 9.20749 10.083 numMergedOcc 0
44 mol 274 unq 1 iso 0 dist 6.4611 5.31116 6.66172 6.70925 8.60027 4.60275 10.5387 5.39432 9.20749 9.16942 numMergedOcc 0
45 mol 279 unq 0 iso 0 dist 6.35028 7.69081 6.0283 12.6502 7.17958 9.09973 13.337 9.85432 9.24367 13.0066 numMergedOcc 0
