REMARK Name = BDB024596 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.296 -0.203 -1.106 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.226 0.706 -1.021 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.399 2.102 -1.495 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.336 2.896 -0.566 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.099 2.910 -1.627 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.983 2.045 -2.166 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.781 0.918 -1.195 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.493 0.462 -0.846 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.725 0.928 -1.259 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.640 0.196 -0.649 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -1.038 -0.780 0.130 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.335 -0.602 0.029 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.432 -1.258 0.593 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.710 -0.805 0.236 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.908 0.263 -0.650 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.270 -1.388 -0.791 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.662 -1.855 0.904 0.00 0.00 +0.094 C ATOM 18 C LIG 1 -2.352 -2.937 0.041 0.00 0.00 +0.023 C ATOM 19 C LIG 1 -1.391 -3.603 -0.949 0.00 0.00 +0.011 C ATOM 20 C LIG 1 -2.983 -4.005 0.952 0.00 0.00 +0.086 C ATOM 21 N LIG 1 -3.715 -3.483 2.105 0.00 0.00 -0.316 NA ATOM 22 H LIG 1 -4.612 -3.961 2.202 0.00 0.00 +0.122 HD ATOM 23 C LIG 1 -3.899 -2.041 2.102 0.00 0.00 +0.083 C ATOM 24 C LIG 1 -2.548 -1.338 2.052 0.00 0.00 +0.040 C ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 7.530 -0.522 -1.775 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.420 0.366 -1.640 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -3.114 0.429 -0.826 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 -3.731 1.436 0.126 0.00 0.00 -0.040 A ATOM 29 C LIG 1 -5.053 1.253 0.566 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -5.654 2.176 1.424 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.950 3.303 1.841 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.649 3.513 1.392 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.046 2.591 0.533 0.00 0.00 +0.004 A ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 4