0 mol 34 unq 0 iso 0 dist 9.06898 10.6266 6.24711 11.2894 9.58596 14.0576 12.5404 4.58552 4.55481 12.3532 numMergedOcc 0
1 mol 89 unq 0 iso 0 dist 7.06277 4.4691 8.40422 9.1427 6.65534 8.79802 12.0097 8.05579 10.6632 4.01045 numMergedOcc 0
2 mol 89 unq 1 iso 0 dist 7.06277 5.38419 8.40425 9.1427 6.65534 5.88324 12.0097 8.05579 9.32983 4.01045 numMergedOcc 0
3 mol 89 unq 2 iso 0 dist 7.06277 6.529 7.47974 9.1427 6.65534 6.52312 12.0097 8.05579 10.4274 4.01045 numMergedOcc 0
4 mol 89 unq 3 iso 0 dist 7.06277 8.3977 5.51831 9.1427 6.65534 6.60299 12.0097 8.05579 6.13636 4.01045 numMergedOcc 0
5 mol 89 unq 4 iso 0 dist 7.06277 9.83986 9.65149 9.1427 6.65534 6.30713 12.0097 8.05579 6.14929 4.01045 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.61144 14.8146 9.36001 7.76627 6.98037 7.24315 13.5622 9.99441 6.77937 8.11408 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 5.46186 10.2851 9.22631 3.74136 5.71763 9.57225 6.81453 7.23305 4.93402 7.92049 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.77082 15.821 9.3948 9.2594 7.27506 14.484 11.6792 8.75345 13.086 4.21171 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 8.0675 9.7565 9.3948 6.85756 7.27506 14.484 3.94084 8.75345 13.086 4.21171 numMergedOcc 0
10 mol 105 unq 0 iso 0 dist 9.84347 8.40852 9.16718 12.571 7.44838 7.33596 9.34708 9.17843 4.4598 9.94027 numMergedOcc 0
11 mol 105 unq 1 iso 0 dist 9.84347 4.7574 7.94633 12.571 7.44838 8.22667 9.34708 9.17843 8.50101 9.94027 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 9.8564 12.0294 9.33094 13.8319 5.11043 9.4027 16.6683 8.62504 8.06642 4.935 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 9.8564 14.9183 8.69531 13.8319 5.11043 5.12325 16.6683 8.62504 4.00092 4.935 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 5.4647 6.96904 7.06025 6.72936 8.25282 10.1489 3.93042 7.86352 10.8974 7.323 numMergedOcc 0
15 mol 213 unq 0 iso 0 dist 5.81317 5.69131 7.94911 6.66171 9.62911 12.2697 6.49084 7.90657 4.72944 12.5919 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 9.42801 15.4299 8.19317 7.38159 9.11454 11.5211 12.6737 6.03081 9.72447 10.0222 numMergedOcc 0
17 mol 235 unq 1 iso 0 dist 9.42801 15.4299 8.19317 7.38159 9.11454 11.5211 8.47779 7.41433 12.983 6.89973 numMergedOcc 0
18 mol 235 unq 2 iso 0 dist 9.42801 10.8094 5.1823 7.38159 9.11454 6.65703 12.6737 6.03081 4.21867 10.0222 numMergedOcc 0
19 mol 235 unq 3 iso 0 dist 9.42801 10.8094 5.1823 7.38159 9.11454 6.65703 8.47779 7.41433 5.88852 6.89973 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 6.66615 5.2836 5.90924 5.50333 7.14086 4.48907 10.1533 9.78237 5.71153 5.82131 numMergedOcc 0
21 mol 264 unq 1 iso 0 dist 6.66615 5.2836 5.90924 5.50333 7.14086 4.48907 9.72258 9.70101 5.70542 10.0297 numMergedOcc 0
22 mol 264 unq 2 iso 0 dist 6.66615 5.2836 5.90924 5.50333 7.14086 4.48907 12.1475 9.95798 6.87635 9.58444 numMergedOcc 0
23 mol 264 unq 3 iso 0 dist 6.66615 4.53426 5.90058 5.50333 7.14086 9.09085 10.1533 9.78237 12.6872 5.82131 numMergedOcc 0
24 mol 264 unq 4 iso 0 dist 6.66615 4.53426 5.90058 5.50333 7.14086 9.09085 9.72258 9.70101 9.63145 10.0297 numMergedOcc 0
25 mol 264 unq 5 iso 0 dist 6.66615 4.53426 5.90058 5.50333 7.14086 9.09085 12.1475 9.95798 12.9337 9.58444 numMergedOcc 0
26 mol 264 unq 6 iso 0 dist 6.66615 13.628 9.58916 5.50333 7.14086 10.1591 10.1533 9.78237 6.56539 5.82131 numMergedOcc 0
27 mol 264 unq 7 iso 0 dist 6.66615 13.628 9.58916 5.50333 7.14086 10.1591 9.72258 9.70101 10.1301 10.0297 numMergedOcc 0
28 mol 264 unq 8 iso 0 dist 6.66615 13.628 9.58916 5.50333 7.14086 10.1591 12.1475 9.95798 4.76241 9.58444 numMergedOcc 0
29 mol 273 unq 0 iso 0 dist 7.05843 6.95085 6.31969 7.43418 5.4307 5.9476 5.74227 9.02537 10.2693 6.87067 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 9.13412 14.0055 9.46442 6.13368 9.2558 9.84292 6.49965 9.23612 17.5073 11.4284 numMergedOcc 0
