0 mol 4 unq 0 iso 0 dist 8.15534 5.10085 6.66589 7.58769 6.21697 9.80478 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 7.58769 5.10085 9.80478 8.15534 6.21697 6.66589 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.32436 5.40129 8.62769 11.471 12.8594 6.09782 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 8.71324 7.70414 9.10915 13.1382 6.90646 8.66921 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 8.71324 7.70414 9.10915 9.5663 7.89535 5.54343 numMergedOcc 0
5 mol 64 unq 2 iso 0 dist 9.5663 7.70414 5.54343 8.71324 7.89535 9.10915 numMergedOcc 0
6 mol 64 unq 3 iso 0 dist 9.5663 7.70414 5.54343 13.1382 6.36389 8.66921 numMergedOcc 0
7 mol 87 unq 0 iso 0 dist 8.21588 7.2527 9.1329 6.62798 5.38943 5.26938 numMergedOcc 0
8 mol 87 unq 1 iso 0 dist 8.21588 7.2527 9.1329 11.2078 11.9011 6.8014 numMergedOcc 0
9 mol 87 unq 2 iso 0 dist 8.21588 12.2598 9.03114 6.62798 5.38943 8.91602 numMergedOcc 0
10 mol 87 unq 3 iso 0 dist 6.62798 7.2527 5.26938 8.21588 5.38943 9.1329 numMergedOcc 0
11 mol 87 unq 4 iso 0 dist 6.62798 7.2527 5.26938 11.2078 6.69898 6.8014 numMergedOcc 0
12 mol 87 unq 5 iso 0 dist 6.62798 12.2598 8.91602 8.21588 5.38943 9.03114 numMergedOcc 0
13 mol 87 unq 6 iso 0 dist 8.15104 8.89893 9.1329 9.94718 5.38943 5.26938 numMergedOcc 0
14 mol 87 unq 7 iso 0 dist 8.15104 8.89893 9.1329 14.8798 11.9011 6.8014 numMergedOcc 0
15 mol 87 unq 8 iso 0 dist 8.15104 5.64484 9.03114 9.94718 5.38943 8.91602 numMergedOcc 0
16 mol 87 unq 9 iso 0 dist 9.94718 8.89893 5.26938 8.15104 5.38943 9.1329 numMergedOcc 0
17 mol 87 unq 10 iso 0 dist 9.94718 8.89893 5.26938 14.8798 6.69898 6.8014 numMergedOcc 0
18 mol 87 unq 11 iso 0 dist 9.94718 5.64484 8.91602 8.15104 5.38943 9.03114 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 9.18707 4.82909 6.09472 9.60865 9.38788 8.93552 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 9.18707 4.82909 6.09472 5.91786 5.54133 6.20658 numMergedOcc 0
21 mol 115 unq 2 iso 0 dist 5.91786 4.82909 6.20658 9.18707 5.54133 6.09472 numMergedOcc 0
22 mol 115 unq 3 iso 0 dist 5.91786 4.82909 6.20658 9.60865 7.12394 8.93552 numMergedOcc 0
23 mol 115 unq 4 iso 0 dist 5.91786 6.68557 7.83568 9.60865 7.12394 8.35604 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 7.10839 4.9475 8.90592 10.8949 7.57667 9.18691 numMergedOcc 0
25 mol 143 unq 1 iso 0 dist 7.58683 9.28974 9.18691 11.8407 7.57667 8.90592 numMergedOcc 0
26 mol 240 unq 0 iso 0 dist 7.84314 12.2549 6.83069 18.1201 12.4409 6.01168 numMergedOcc 0
27 mol 240 unq 1 iso 0 dist 7.84314 12.5785 9.30995 18.1201 12.4409 7.72928 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 6.93654 6.39263 8.50313 9.66298 4.70691 7.6414 numMergedOcc 0
29 mol 261 unq 1 iso 0 dist 9.66298 6.39263 7.6414 6.93654 4.70691 8.50313 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 4.98604 8.54773 7.13655 10.1896 5.69849 8.98486 numMergedOcc 0
31 mol 287 unq 1 iso 0 dist 4.98604 8.54773 7.13655 10.8278 6.44062 8.70152 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 4.98604 8.54773 7.13655 10.1896 5.69849 8.98486 numMergedOcc 0
33 mol 288 unq 1 iso 0 dist 4.98604 8.54773 7.13655 10.8278 6.44062 8.70152 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 4.98604 8.54773 7.13655 10.1896 5.69849 8.98486 numMergedOcc 0
35 mol 289 unq 1 iso 0 dist 4.98604 8.54773 7.13655 10.8278 6.44062 8.70152 numMergedOcc 0
