0 mol 6 unq 0 iso 0 dist 9.68907 8.5741 6.30562 12.7266 3.56565 7.96137 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.61209 10.3681 8.37544 19.1543 14.7907 9.63353 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 5.7638 8.11218 8.37544 17.1163 14.7907 9.63353 numMergedOcc 0
3 mol 55 unq 2 iso 0 dist 8.55679 8.11218 4.92955 17.1163 9.78016 9.63353 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 8.54119 5.60142 5.9644 8.06894 6.42684 4.92457 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.04935 10.6431 5.69384 13.0285 6.08635 8.51933 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.52947 11.8293 8.42713 16.3862 14.4533 6.46217 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 8.84466 3.74136 8.42713 8.61597 14.4533 6.46217 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 9.2948 3.74136 8.21032 8.61597 3.24551 6.46217 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 8.28452 5.93237 6.20553 9.68191 3.77247 8.28325 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 8.44004 7.14947 6.20553 11.9488 3.77247 8.28325 numMergedOcc 0
11 mol 128 unq 0 iso 0 dist 8.98367 10.8853 6.17362 12.2109 3.81254 7.12765 numMergedOcc 0
12 mol 128 unq 1 iso 0 dist 8.98367 10.8853 6.17362 14.5996 6.13996 6.28471 numMergedOcc 0
13 mol 128 unq 2 iso 0 dist 9.35162 11.0542 6.4416 16.2573 7.67031 7.12765 numMergedOcc 0
14 mol 128 unq 3 iso 0 dist 9.35162 11.0542 6.4416 13.1835 4.62046 6.28471 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 5.70772 5.78019 6.4752 12.8036 11.3398 7.19893 numMergedOcc 0
16 mol 147 unq 1 iso 0 dist 5.70772 5.78019 6.4752 10.4198 6.78721 6.37938 numMergedOcc 0
17 mol 147 unq 2 iso 0 dist 5.03663 4.52246 6.4752 9.88424 11.3398 7.19893 numMergedOcc 0
18 mol 147 unq 3 iso 0 dist 5.03663 4.52246 6.4752 7.50372 6.78721 6.37938 numMergedOcc 0
19 mol 147 unq 4 iso 0 dist 8.93916 5.88056 6.4752 5.79819 11.3398 7.19893 numMergedOcc 0
20 mol 147 unq 5 iso 0 dist 8.93916 5.88056 6.4752 6.03024 6.78721 6.37938 numMergedOcc 0
21 mol 159 unq 0 iso 0 dist 9.04205 11.4951 9.91132 11.3847 3.55677 8.12238 numMergedOcc 0
22 mol 169 unq 0 iso 0 dist 8.56204 5.78448 6.29631 9.75644 3.89732 8.21203 numMergedOcc 0
23 mol 173 unq 0 iso 0 dist 9.99743 9.37181 5.36078 17.0936 12.3916 9.02222 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 4.85577 6.14396 9.93045 13.0012 13.9439 9.12783 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 9.44772 11.1985 9.93045 18.6664 13.9439 9.12783 numMergedOcc 0
26 mol 233 unq 0 iso 0 dist 6.01193 6.20465 8.35521 13.1052 10.0947 9.2182 numMergedOcc 0
27 mol 233 unq 1 iso 0 dist 7.40749 5.90533 8.35521 13.0032 10.0947 9.2182 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 9.96682 5.80838 9.91748 5.77565 7.72539 7.66409 numMergedOcc 0
