REMARK Name = BDB051469 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.027 4.963 0.271 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -1.689 5.223 0.606 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -0.765 4.178 0.554 0.00 0.00 +0.062 A ATOM 4 C LIG 1 -1.158 2.868 0.171 0.00 0.00 +0.044 A ATOM 5 C LIG 1 -2.492 2.618 -0.137 0.00 0.00 +0.082 A ATOM 6 N LIG 1 -2.935 1.409 -0.479 0.00 0.00 -0.214 NA ATOM 7 C LIG 1 -2.071 0.386 -0.507 0.00 0.00 +0.220 A ATOM 8 N LIG 1 -0.767 0.535 -0.227 0.00 0.00 -0.199 NA ATOM 9 C LIG 1 -0.303 1.757 0.078 0.00 0.00 +0.132 A ATOM 10 C LIG 1 -3.404 3.665 -0.090 0.00 0.00 +0.078 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 -2.543 -0.867 -0.863 0.00 0.00 -0.298 N ATOM 12 C LIG 1 -1.706 -2.014 -0.492 0.00 0.00 +0.123 C ATOM 13 C LIG 1 -2.458 -3.368 -0.477 0.00 0.00 +0.103 C ATOM 14 N LIG 1 -3.478 -3.558 0.576 0.00 0.00 -0.304 NA ATOM 15 C LIG 1 -4.483 -4.536 0.173 0.00 0.00 +0.104 C ATOM 16 C LIG 1 -4.063 -2.331 1.118 0.00 0.00 +0.085 C ATOM 17 C LIG 1 -4.757 -1.378 0.142 0.00 0.00 +0.034 C ATOM 18 C LIG 1 -3.965 -1.038 -1.116 0.00 0.00 +0.109 C ENDBRANCH 7 11 BRANCH 1 20 ATOM 19 C LIG 1 -5.245 5.809 -0.007 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -3.885 6.033 0.334 0.00 0.00 -0.491 OA ENDBRANCH 1 20 BRANCH 2 21 ATOM 21 O LIG 1 -1.389 6.513 0.961 0.00 0.00 -0.491 OA ATOM 22 C LIG 1 -0.073 6.783 1.422 0.00 0.00 +0.277 C ENDBRANCH 2 21 BRANCH 9 23 ATOM 23 N LIG 1 1.070 1.941 0.332 0.00 0.00 -0.326 N ATOM 24 H LIG 1 1.397 2.698 -0.265 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 2.014 0.816 0.296 0.00 0.00 +0.074 C ATOM 26 C LIG 1 1.779 -0.225 1.395 0.00 0.00 +0.037 C ATOM 27 C LIG 1 1.941 -1.649 0.865 0.00 0.00 +0.086 C ATOM 28 N LIG 1 3.131 -1.863 0.036 0.00 0.00 -0.298 NA ATOM 29 C LIG 1 3.306 -0.852 -1.021 0.00 0.00 +0.086 C ATOM 30 C LIG 1 2.194 0.200 -1.091 0.00 0.00 +0.037 C BRANCH 28 31 ATOM 31 C LIG 1 4.345 -2.061 0.844 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 C LIG 1 5.510 -2.621 0.053 0.00 0.00 -0.033 A ATOM 33 C LIG 1 5.368 -3.804 -0.688 0.00 0.00 +0.005 A ATOM 34 C LIG 1 6.446 -4.331 -1.400 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.681 -3.686 -1.374 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.838 -2.514 -0.636 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.760 -1.985 0.077 0.00 0.00 +0.005 A ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 7