REMARK Name = BDB024724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.407 1.939 -0.270 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.681 0.751 -0.434 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.442 -0.396 -0.951 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.319 -0.507 -2.474 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.064 -1.677 -0.214 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.587 -1.972 -0.368 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.736 -0.751 -0.148 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.349 -0.911 0.076 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.617 -2.071 0.157 0.00 0.00 -0.227 NA ATOM 10 C LIG 1 0.630 -1.710 0.390 0.00 0.00 +0.142 A ATOM 11 N LIG 1 0.728 -0.333 0.425 0.00 0.00 -0.322 N ATOM 12 C LIG 1 -0.528 0.196 0.232 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.012 1.499 0.152 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.387 1.652 -0.076 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.269 0.565 -0.201 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.530 2.115 -0.738 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 17 ATOM 17 C LIG 1 1.755 -2.629 0.536 0.00 0.00 +0.017 A ATOM 18 C LIG 1 2.242 -3.317 -0.581 0.00 0.00 +0.011 A ATOM 19 C LIG 1 3.333 -4.179 -0.457 0.00 0.00 +0.001 A ATOM 20 C LIG 1 3.936 -4.367 0.787 0.00 0.00 +0.000 A ATOM 21 C LIG 1 3.443 -3.701 1.909 0.00 0.00 +0.001 A ATOM 22 C LIG 1 2.353 -2.838 1.785 0.00 0.00 +0.011 A ENDBRANCH 10 17 BRANCH 1 24 ATOM 23 C LIG 1 -5.576 4.046 0.754 0.00 0.00 +0.282 C ATOM 24 O LIG 1 -4.805 2.866 0.528 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 11 25 ATOM 25 C LIG 1 1.952 0.435 0.584 0.00 0.00 +0.139 C BRANCH 25 26 ATOM 26 C LIG 1 2.627 0.715 -0.767 0.00 0.00 +0.106 C BRANCH 26 27 ATOM 27 N LIG 1 3.979 1.284 -0.723 0.00 0.00 -0.296 NA ATOM 28 C LIG 1 5.004 0.384 -0.161 0.00 0.00 +0.112 C ATOM 29 C LIG 1 5.571 0.864 1.185 0.00 0.00 +0.175 C ATOM 30 O LIG 1 6.117 2.188 1.141 0.00 0.00 -0.377 OA ATOM 31 C LIG 1 5.510 3.024 0.145 0.00 0.00 +0.175 C ATOM 32 C LIG 1 4.053 2.635 -0.147 0.00 0.00 +0.112 C ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 11 25 TORSDOF 5