REMARK Name = BDB034350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.966 -0.305 -0.811 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -4.739 -1.161 0.278 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -3.463 -1.528 0.691 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -2.340 -1.047 -0.020 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -1.045 -1.462 0.412 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -0.962 -2.244 1.565 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -2.127 -2.654 2.186 0.00 0.00 +0.113 A ATOM 8 C LIG 1 -2.569 -0.179 -1.115 0.00 0.00 +0.012 A ATOM 9 N LIG 1 -3.361 -2.326 1.763 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -3.860 0.180 -1.507 0.00 0.00 +0.005 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 0.106 -0.992 -0.256 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -0.061 -0.962 -1.260 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 1.425 -1.532 0.070 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 2.475 -0.875 -0.827 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 3.889 -1.422 -0.601 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 4.459 -1.227 0.730 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 3.886 -1.676 1.440 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 4.688 0.167 1.118 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 5.752 0.863 0.315 0.00 0.00 +0.012 A ATOM 20 C LIG 1 7.102 0.660 0.552 0.00 0.00 +0.171 A ATOM 21 O LIG 1 7.638 -0.139 1.518 0.00 0.00 -0.452 OA ATOM 22 C LIG 1 9.046 0.026 1.265 0.00 0.00 +0.466 C ATOM 23 O LIG 1 9.335 0.953 0.200 0.00 0.00 -0.453 OA ATOM 24 C LIG 1 8.076 1.287 -0.194 0.00 0.00 +0.167 A ATOM 25 C LIG 1 7.766 2.157 -1.217 0.00 0.00 +0.049 A ATOM 26 C LIG 1 6.417 2.391 -1.482 0.00 0.00 +0.004 A ATOM 27 C LIG 1 5.419 1.750 -0.725 0.00 0.00 +0.009 A ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 28 ATOM 28 C LIG 1 -6.370 0.071 -1.235 0.00 0.00 +0.073 C BRANCH 28 31 ATOM 29 CL LIG 1 -8.575 -1.478 0.382 0.00 0.00 -0.083 Cl ATOM 30 C LIG 1 -8.157 0.190 0.589 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -7.167 0.825 -0.187 0.00 0.00 -0.006 A ATOM 32 C LIG 1 -6.933 2.194 0.059 0.00 0.00 +0.046 A ATOM 33 CL LIG 1 -5.778 3.113 -0.845 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 -7.647 2.888 1.044 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -8.613 2.236 1.804 0.00 0.00 +0.003 A ATOM 36 C LIG 1 -8.868 0.889 1.573 0.00 0.00 +0.020 A ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 9