0 mol 7 unq 0 iso 0 dist 8.05125 7.15434 9.17482 7.29541 12.166 5.72491 13.6482 15.0827 7.12508 8.15894 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.62469 9.17086 5.39546 8.33667 11.9259 9.93832 13.0289 15.2071 10.8828 7.24352 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 4.80247 9.77018 10.6193 7.79856 7.03635 8.63486 5.91948 4.67834 6.15355 5.07125 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.26536 8.05602 12.5137 14.9908 19.2041 7.26086 9.55337 14.3856 3.9764 8.75597 numMergedOcc 0
4 mol 140 unq 0 iso 0 dist 6.55217 7.83582 9.7827 11.3235 13.7702 5.39064 12.2398 12.0644 4.91618 7.19291 numMergedOcc 0
5 mol 140 unq 1 iso 0 dist 6.55217 7.83582 9.7827 11.3235 13.7702 5.39064 11.2557 14.0942 4.75859 6.66504 numMergedOcc 0
6 mol 140 unq 2 iso 0 dist 7.21686 7.83582 5.80354 11.3235 10.6238 5.39064 12.2398 7.25701 4.91618 7.19291 numMergedOcc 0
7 mol 140 unq 3 iso 0 dist 7.21686 7.83582 5.80354 11.3235 10.6238 5.39064 11.2557 9.63321 4.75859 6.66504 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 8.42643 7.13441 5.60928 6.15895 9.77285 5.10618 13.2972 18.1536 13.9189 9.13027 numMergedOcc 0
9 mol 222 unq 0 iso 0 dist 7.99609 8.7419 4.81992 7.26742 5.98014 7.862 11.2674 11.1253 8.84507 7.97027 numMergedOcc 0
10 mol 222 unq 1 iso 0 dist 7.99609 8.7419 4.81992 7.26742 5.98014 7.862 12.7466 6.07403 8.67203 6.81955 numMergedOcc 0
11 mol 222 unq 2 iso 0 dist 7.99609 8.7419 4.81992 7.26742 5.98014 7.862 10.656 5.10026 6.02502 4.9876 numMergedOcc 0
12 mol 230 unq 0 iso 0 dist 9.32781 5.62804 9.33469 10.1088 9.88392 6.41286 14.0318 9.40036 9.70574 7.07833 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 9.01742 9.38753 5.81768 8.09178 9.6438 5.52379 11.0533 6.38029 4.48415 6.53286 numMergedOcc 0
14 mol 276 unq 0 iso 0 dist 7.01597 8.54938 5.49958 5.38576 4.92907 7.88706 11.3123 4.95754 9.33434 7.49391 numMergedOcc 0
