0 mol 11 unq 0 iso 0 dist 8.73067 7.5901 7.98326 4.79838 6.76736 9.81983 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 6.96422 8.06296 7.92714 10.1348 6.55567 9.8142 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 6.61977 5.99025 8.0543 11.7111 6.64571 9.42876 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.34031 8.13678 8.29857 15.0976 12.4707 8.12997 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 7.34031 8.13678 8.29857 12.5436 8.98812 6.13153 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 7.34031 8.13678 8.29857 4.74786 3.50984 5.7836 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 7.34031 8.13678 8.29857 10.0563 11.7253 7.32996 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 7.34031 8.13678 8.29857 12.1265 12.69 5.89173 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 7.281 8.24402 8.19993 15.0824 12.5401 7.84895 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 7.281 8.24402 8.19993 12.4892 9.01489 5.8541 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 7.281 8.24402 8.19993 4.53565 3.65036 5.82264 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 7.281 8.24402 8.19993 10.088 11.7978 7.20729 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 7.281 8.24402 8.19993 12.1231 12.5721 5.72703 numMergedOcc 0
13 mol 54 unq 0 iso 0 dist 6.30987 6.85072 9.17082 12.1135 10.1455 8.75957 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 9.63599 6.49291 9.78384 9.11491 5.84075 6.86517 numMergedOcc 0
15 mol 79 unq 1 iso 0 dist 9.63599 11.51 8.87742 10.765 3.94192 9.99805 numMergedOcc 0
16 mol 79 unq 2 iso 0 dist 9.63599 11.51 8.87742 14.294 6.29733 8.84225 numMergedOcc 0
17 mol 79 unq 3 iso 0 dist 9.63599 7.82761 4.93468 9.11491 5.84075 8.33791 numMergedOcc 0
18 mol 79 unq 4 iso 0 dist 9.63599 7.82761 4.93468 12.3393 5.41884 7.38548 numMergedOcc 0
19 mol 79 unq 5 iso 0 dist 9.63599 7.82761 4.93468 10.765 3.94192 8.2992 numMergedOcc 0
20 mol 79 unq 6 iso 0 dist 9.63599 7.82761 4.93468 14.294 6.29733 6.72546 numMergedOcc 0
21 mol 79 unq 7 iso 0 dist 7.87237 5.97134 9.26979 7.90338 5.25584 6.2576 numMergedOcc 0
22 mol 79 unq 8 iso 0 dist 7.87237 9.00783 9.05679 7.90338 5.25584 8.96069 numMergedOcc 0
23 mol 79 unq 9 iso 0 dist 7.87237 4.52595 4.93468 7.90338 5.25584 7.56495 numMergedOcc 0
24 mol 79 unq 10 iso 0 dist 7.87237 4.52595 4.93468 7.08462 5.79629 7.63923 numMergedOcc 0
25 mol 79 unq 11 iso 0 dist 7.87237 4.52595 4.93468 11.6525 3.90527 8.23095 numMergedOcc 0
26 mol 79 unq 12 iso 0 dist 8.01743 6.4154 9.78384 8.90324 5.84075 6.86517 numMergedOcc 0
27 mol 79 unq 13 iso 0 dist 8.01743 11.4135 8.87742 11.7529 3.94192 9.99805 numMergedOcc 0
28 mol 79 unq 14 iso 0 dist 8.01743 11.4135 8.87742 8.78124 6.29733 8.84225 numMergedOcc 0
29 mol 79 unq 15 iso 0 dist 8.01743 4.58851 4.93468 8.90324 5.84075 8.33791 numMergedOcc 0
30 mol 79 unq 16 iso 0 dist 8.01743 4.58851 4.93468 7.15907 5.41884 7.38548 numMergedOcc 0
31 mol 79 unq 17 iso 0 dist 8.01743 4.58851 4.93468 11.7529 3.94192 8.2992 numMergedOcc 0
32 mol 79 unq 18 iso 0 dist 8.01743 4.58851 4.93468 8.78124 6.29733 6.72546 numMergedOcc 0
33 mol 92 unq 0 iso 0 dist 6.95465 8.71385 9.60622 11.4355 7.08542 8.43964 numMergedOcc 0
34 mol 116 unq 0 iso 0 dist 7.35992 6.10081 8.38606 10.0811 4.13755 8.58308 numMergedOcc 0
35 mol 116 unq 1 iso 0 dist 6.49383 4.94926 8.38606 6.28029 4.13755 8.58308 numMergedOcc 0
36 mol 141 unq 0 iso 0 dist 4.25566 7.64948 9.83945 6.50336 3.80087 9.59109 numMergedOcc 0
37 mol 141 unq 1 iso 0 dist 6.63171 14.2837 9.83945 10.3574 3.80087 9.59109 numMergedOcc 0
38 mol 141 unq 2 iso 0 dist 7.67273 10.6379 9.83945 10.9275 3.80087 9.59109 numMergedOcc 0
39 mol 141 unq 3 iso 0 dist 7.31037 7.64948 6.75376 6.50336 3.80763 9.59109 numMergedOcc 0
40 mol 194 unq 0 iso 0 dist 8.52969 11.8663 6.1886 19.8661 13.0087 8.43182 numMergedOcc 0
41 mol 232 unq 0 iso 0 dist 7.10413 10.9886 9.78181 13.5462 12.3206 9.78273 numMergedOcc 0
42 mol 235 unq 0 iso 0 dist 6.54825 7.96337 6.94789 9.80435 3.66752 7.26232 numMergedOcc 0
43 mol 237 unq 0 iso 0 dist 9.27395 9.55218 8.10254 11.1579 5.18809 8.95332 numMergedOcc 0
44 mol 250 unq 0 iso 0 dist 5.97993 7.73342 9.70149 8.73744 4.14699 9.25035 numMergedOcc 0
45 mol 250 unq 1 iso 0 dist 6.44252 5.66455 9.70149 6.61917 4.14699 9.25035 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 9.20749 4.60275 9.16942 9.85661 6.97575 8.09181 numMergedOcc 0
47 mol 280 unq 0 iso 0 dist 5.80452 4.12456 6.73712 12.0314 8.71368 9.47429 numMergedOcc 0
48 mol 280 unq 1 iso 0 dist 7.82157 9.56032 6.73712 15.3701 8.71368 9.47429 numMergedOcc 0
49 mol 284 unq 0 iso 0 dist 6.61376 6.76453 7.34931 12.6969 9.94624 7.74874 numMergedOcc 0
