REMARK Name = BDB011266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.622 0.723 -0.719 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.917 -0.402 -0.263 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.410 -0.132 -0.420 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.709 -0.817 -0.189 0.00 0.00 +0.154 C ATOM 5 N LIG 1 -2.619 0.214 -0.758 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -1.955 1.348 -1.246 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -2.425 2.335 -1.784 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.563 1.091 -1.011 0.00 0.00 +0.060 A ATOM 9 C LIG 1 0.697 1.650 -1.198 0.00 0.00 +0.041 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.040 -1.102 1.262 0.00 0.00 -0.021 A ATOM 11 C LIG 1 -2.511 -2.374 1.633 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -2.838 -2.654 2.962 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -2.705 -1.663 3.932 0.00 0.00 +0.041 A ATOM 14 CL LIG 1 -3.108 -2.011 5.568 0.00 0.00 -0.084 Cl ATOM 15 C LIG 1 -2.251 -0.394 3.585 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -1.924 -0.114 2.256 0.00 0.00 +0.007 A ENDBRANCH 4 10 BRANCH 1 18 ATOM 17 C LIG 1 3.866 1.030 0.393 0.00 0.00 +0.228 A ATOM 18 C LIG 1 3.079 0.853 -0.729 0.00 0.00 +0.078 A ATOM 19 C LIG 1 3.790 0.828 -1.905 0.00 0.00 +0.129 A ATOM 20 N LIG 1 5.133 0.935 -1.982 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 5.819 1.088 -0.836 0.00 0.00 +0.220 A ATOM 22 N LIG 1 5.212 1.134 0.361 0.00 0.00 -0.179 NA BRANCH 21 23 ATOM 23 N LIG 1 7.205 1.228 -0.893 0.00 0.00 -0.306 N ATOM 24 C LIG 1 7.813 0.751 -2.124 0.00 0.00 +0.132 C ATOM 25 C LIG 1 7.899 0.920 0.347 0.00 0.00 +0.132 C ENDBRANCH 21 23 BRANCH 17 27 ATOM 26 C LIG 1 4.096 1.416 2.697 0.00 0.00 +0.279 C ATOM 27 O LIG 1 3.228 1.086 1.619 0.00 0.00 -0.479 OA ENDBRANCH 17 27 ENDBRANCH 1 18 BRANCH 5 28 ATOM 28 C LIG 1 -4.049 -0.035 -0.929 0.00 0.00 +0.078 C ATOM 29 C LIG 1 -4.447 -0.169 -2.413 0.00 0.00 +0.025 C ATOM 30 C LIG 1 -5.326 0.980 -2.903 0.00 0.00 +0.033 C ATOM 31 C LIG 1 -6.587 1.141 -2.051 0.00 0.00 +0.115 C ATOM 32 C LIG 1 -6.364 0.882 -0.557 0.00 0.00 +0.033 C ATOM 33 C LIG 1 -4.898 0.994 -0.164 0.00 0.00 +0.025 C BRANCH 31 34 ATOM 34 O LIG 1 -7.575 0.225 -2.524 0.00 0.00 -0.392 OA ATOM 35 H LIG 1 -8.405 0.431 -2.061 0.00 0.00 +0.210 HD ENDBRANCH 31 34 ENDBRANCH 5 28 BRANCH 2 36 ATOM 36 C LIG 1 1.529 -1.649 0.203 0.00 0.00 +0.081 C ATOM 37 C LIG 1 1.033 -2.877 -0.562 0.00 0.00 +0.030 C ATOM 38 C LIG 1 1.411 -1.844 1.713 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 7