REMARK Name = BDB007828 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.028 -0.103 -0.227 0.00 0.00 +0.129 A ATOM 2 N LIG 1 0.956 0.694 -0.057 0.00 0.00 -0.196 NA ATOM 3 C LIG 1 -0.251 0.101 0.078 0.00 0.00 +0.240 A ATOM 4 O LIG 1 -1.279 0.993 0.196 0.00 0.00 -0.459 OA ATOM 5 C LIG 1 -2.520 0.519 -0.326 0.00 0.00 +0.186 C ATOM 6 C LIG 1 -2.877 -0.902 0.190 0.00 0.00 +0.268 C ATOM 7 N LIG 1 -1.786 -1.783 0.276 0.00 0.00 -0.232 N ATOM 8 O LIG 1 -4.042 -1.218 0.445 0.00 0.00 -0.271 OA ATOM 9 C LIG 1 -2.479 0.483 -1.866 0.00 0.00 +0.066 C ATOM 10 C LIG 1 -0.465 -1.275 0.098 0.00 0.00 +0.103 A ATOM 11 C LIG 1 0.661 -2.071 -0.125 0.00 0.00 +0.032 A ATOM 12 C LIG 1 1.920 -1.483 -0.280 0.00 0.00 +0.046 A ENDROOT BRANCH 7 13 ATOM 13 C LIG 1 -1.992 -3.146 0.663 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -3.041 -3.889 0.102 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -3.256 -5.214 0.485 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -4.533 -6.116 -0.236 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -2.443 -5.818 1.441 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -1.412 -5.087 2.026 0.00 0.00 +0.003 A ATOM 19 C LIG 1 -1.193 -3.760 1.644 0.00 0.00 +0.024 A ENDBRANCH 7 13 BRANCH 1 21 ATOM 20 C LIG 1 4.500 0.108 -0.518 0.00 0.00 +0.235 C ATOM 21 N LIG 1 3.222 0.602 -0.350 0.00 0.00 -0.269 N ATOM 22 H LIG 1 3.087 1.600 -0.267 0.00 0.00 +0.156 HD ATOM 23 O LIG 1 4.788 -1.081 -0.619 0.00 0.00 -0.274 OA BRANCH 20 24 ATOM 24 C LIG 1 5.565 1.232 -0.578 0.00 0.00 +0.137 C ATOM 25 C LIG 1 6.755 0.762 -1.419 0.00 0.00 +0.034 C BRANCH 24 27 ATOM 26 C LIG 1 5.110 2.340 1.571 0.00 0.00 +0.101 C ATOM 27 N LIG 1 6.058 1.577 0.774 0.00 0.00 -0.309 NA ATOM 28 H LIG 1 6.922 2.112 0.688 0.00 0.00 +0.122 HD ENDBRANCH 24 27 ENDBRANCH 20 24 ENDBRANCH 1 21 BRANCH 5 29 ATOM 29 C LIG 1 -3.618 1.510 0.159 0.00 0.00 +0.060 C BRANCH 29 30 ATOM 30 C LIG 1 -3.586 2.955 -0.397 0.00 0.00 -0.013 C ATOM 31 C LIG 1 -2.306 3.720 -0.065 0.00 0.00 +0.007 C ATOM 32 C LIG 1 -4.793 3.730 0.147 0.00 0.00 +0.007 C ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 6