0 mol 30 unq 0 iso 0 dist 6.30807 5.90481 7.5925 12.4266 9.84967 15.3046 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.57785 8.48514 5.58252 16.0564 8.95571 11.986 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.64665 9.42869 15.8202 9.50418 7.31677 18.7895 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 5.16558 9.62459 5.32316 4.53097 8.39857 11.1305 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 9.42444 9.64736 7.56588 8.68983 9.74082 15.1111 numMergedOcc 0
5 mol 103 unq 1 iso 0 dist 9.64736 9.42444 7.56588 3.9634 8.23356 11.0546 numMergedOcc 0
6 mol 132 unq 0 iso 0 dist 7.64207 8.94096 4.05522 4.8602 8.72039 11.5671 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 5.59311 9.22456 5.01776 6.14253 9.56319 14.2363 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 5.59311 9.22456 5.01776 4.88407 6.65267 11.5349 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 5.59311 5.7232 10.5425 6.14253 9.56319 9.73038 numMergedOcc 0
10 mol 133 unq 3 iso 0 dist 5.59311 5.7232 10.5425 4.88407 6.65267 10.064 numMergedOcc 0
11 mol 133 unq 4 iso 0 dist 5.7232 5.59311 10.5425 6.14253 9.73038 9.56319 numMergedOcc 0
12 mol 133 unq 5 iso 0 dist 5.7232 9.22456 12.3753 6.14253 9.73038 14.2363 numMergedOcc 0
13 mol 176 unq 0 iso 0 dist 9.02576 8.11904 3.69868 6.30137 7.80506 9.32606 numMergedOcc 0
14 mol 176 unq 1 iso 0 dist 8.11904 9.02576 3.69868 6.30137 9.32606 7.80506 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 8.94464 8.63713 11.4167 8.18671 6.60648 10.5851 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 5.93515 5.08796 6.7732 6.35731 5.13534 9.76194 numMergedOcc 0
17 mol 185 unq 0 iso 0 dist 7.5578 6.06763 5.81461 3.55732 8.83768 5.7065 numMergedOcc 0
18 mol 185 unq 1 iso 0 dist 6.06763 7.5578 5.81461 9.15037 8.85182 11.4028 numMergedOcc 0
19 mol 185 unq 2 iso 0 dist 6.06763 7.5578 5.81461 3.55732 5.7065 8.83768 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 7.9801 6.17825 4.07375 8.45224 5.71182 7.67573 numMergedOcc 0
21 mol 226 unq 1 iso 0 dist 6.17825 7.9801 4.07375 8.7629 9.03261 11.4968 numMergedOcc 0
22 mol 226 unq 2 iso 0 dist 6.17825 7.9801 4.07375 8.45224 7.67573 5.71182 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 4.43243 5.92025 5.26871 7.15062 9.51001 12.9622 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 4.43243 9.04819 11.4554 7.15062 9.51001 13.4646 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 8.6856 9.98868 4.84513 5.60485 8.17026 11.1227 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 8.6856 9.98868 4.84513 4.22701 8.43002 11.0083 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 8.00278 9.8678 4.78111 5.53565 7.3055 11.387 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 6.13722 9.10275 4.78111 4.19938 7.3055 11.387 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 7.90634 7.75212 10.5217 8.049 6.19545 14.0673 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 7.90634 7.75212 10.5217 5.05806 7.3388 10.656 numMergedOcc 0
31 mol 287 unq 2 iso 0 dist 7.90634 7.75212 10.5217 11.1974 6.96248 15.3165 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 7.90634 7.75212 10.5217 8.049 6.19545 14.0673 numMergedOcc 0
33 mol 288 unq 1 iso 0 dist 7.90634 7.75212 10.5217 5.05806 7.3388 10.656 numMergedOcc 0
34 mol 288 unq 2 iso 0 dist 7.90634 7.75212 10.5217 11.1974 6.96248 15.3165 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 7.90634 7.75212 10.5217 8.049 6.19545 14.0673 numMergedOcc 0
36 mol 289 unq 1 iso 0 dist 7.90634 7.75212 10.5217 5.05806 7.3388 10.656 numMergedOcc 0
37 mol 289 unq 2 iso 0 dist 7.90634 7.75212 10.5217 11.1974 6.96248 15.3165 numMergedOcc 0
