38 atoms Coords 1 6.463187 -0.089441 4.377929 2 6.036084 -0.095174 3.367084 3 6.447057 0.771369 2.83209 4 6.405948 -0.996076 2.859589 5 4.525111 -0.05955 3.409065 6 4.142044 -0.925753 3.984544 7 4.182751 0.838177 3.961449 8 3.928994 -0.064199 2.010498 9 4.311779 0.802213 1.434243 10 4.271303 -0.962146 1.457568 11 2.410037 -0.0289 2.054783 12 2.027961 -0.895982 2.630572 13 2.068119 0.868714 2.608642 14 1.815954 -0.032916 0.655592 15 2.198117 0.833907 0.079448 16 2.157658 -0.930723 0.101942 17 0.29687 0.002339 0.699897 18 -0.085203 -0.864646 1.275845 19 -0.045099 0.900063 1.25354 20 -0.297089 -0.002021 -0.699354 21 0.085176 0.864609 -1.275721 22 0.044561 -0.900023 -1.252725 23 -1.816172 0.03336 -0.655153 24 -2.198373 -0.833594 -0.079261 25 -2.158113 0.931099 -0.101513 26 -2.410063 0.02911 -2.054425 27 -2.028142 0.896081 -2.630509 28 -2.067957 -0.868561 -2.608047 29 -3.929045 0.063758 -2.010446 30 -4.311563 -0.804066 -1.436173 31 -4.272102 0.960418 -1.455849 32 -4.52474 0.061366 -3.409201 33 -4.142945 0.929399 -3.98279 34 -4.180837 -0.834583 -3.963482 35 -6.035786 0.094097 -3.367676 36 -6.445404 -0.777032 -2.839168 37 -6.407733 0.990684 -2.854064 38 -6.462349 0.094624 -4.378773 Types 1 2 2 1 3 2 4 2 5 1 6 2 7 2 8 1 9 2 10 2 11 1 12 2 13 2 14 1 15 2 16 2 17 1 18 2 19 2 20 1 21 2 22 2 23 1 24 2 25 2 26 1 27 2 28 2 29 1 30 2 31 2 32 1 33 2 34 2 35 1 36 2 37 2 38 2 Charges 1 0 2 0 3 0 4 0 5 0 6 0 7 0 8 0 9 0 10 0 11 0 12 0 13 0 14 0 15 0 16 0 17 0 18 0 19 0 20 0 21 0 22 0 23 0 24 0 25 0 26 0 27 0 28 0 29 0 30 0 31 0 32 0 33 0 34 0 35 0 36 0 37 0 38 0