REMARK Name = BDB049103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.876 0.052 -0.088 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.031 1.103 -0.270 0.00 0.00 +0.006 A ATOM 3 C LIG 1 1.294 0.887 -0.844 0.00 0.00 +0.023 A ATOM 4 C LIG 1 1.721 -0.387 -1.238 0.00 0.00 +0.030 A ATOM 5 C LIG 1 0.794 -1.426 -1.063 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.471 -1.220 -0.491 0.00 0.00 +0.006 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 2.966 -0.643 -1.819 0.00 0.00 -0.327 N ATOM 8 C LIG 1 3.853 0.466 -2.226 0.00 0.00 +0.124 C ATOM 9 C LIG 1 4.790 0.930 -1.085 0.00 0.00 +0.124 C ATOM 10 N LIG 1 5.469 -0.170 -0.353 0.00 0.00 -0.325 N ATOM 11 C LIG 1 4.580 -1.327 -0.039 0.00 0.00 +0.124 C ATOM 12 C LIG 1 3.742 -1.778 -1.257 0.00 0.00 +0.124 C BRANCH 10 13 ATOM 13 C LIG 1 6.781 -0.517 -0.671 0.00 0.00 +0.055 A ATOM 14 C LIG 1 7.732 -0.840 0.318 0.00 0.00 +0.109 A ATOM 15 C LIG 1 9.036 -1.245 -0.025 0.00 0.00 +0.029 A ATOM 16 C LIG 1 9.420 -1.326 -1.359 0.00 0.00 +0.002 A ATOM 17 C LIG 1 8.508 -0.996 -2.351 0.00 0.00 +0.002 A ATOM 18 C LIG 1 7.210 -0.598 -2.008 0.00 0.00 +0.025 A BRANCH 14 19 ATOM 19 S LIG 1 7.391 -0.665 2.061 0.00 0.00 -0.004 S ATOM 20 O LIG 1 8.677 -0.519 2.726 0.00 0.00 -0.170 OA ATOM 21 O LIG 1 6.500 -1.742 2.450 0.00 0.00 -0.170 OA ATOM 22 C LIG 1 6.561 0.885 2.275 0.00 0.00 +0.200 C ENDBRANCH 14 19 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 26 ATOM 23 N LIG 1 -4.470 0.990 -0.133 0.00 0.00 -0.296 NA ATOM 24 C LIG 1 -4.548 -0.033 0.918 0.00 0.00 +0.104 C ATOM 25 C LIG 1 -3.239 -0.823 0.730 0.00 0.00 +0.079 C ATOM 26 C LIG 1 -2.225 0.335 0.543 0.00 0.00 +0.051 C ATOM 27 C LIG 1 -3.053 1.374 -0.251 0.00 0.00 +0.094 C BRANCH 25 28 ATOM 28 N LIG 1 -2.901 -1.845 1.746 0.00 0.00 -0.304 NA ATOM 29 C LIG 1 -2.767 -1.339 3.110 0.00 0.00 +0.104 C ATOM 30 C LIG 1 -3.852 -2.958 1.715 0.00 0.00 +0.104 C ENDBRANCH 25 28 BRANCH 23 31 ATOM 31 C LIG 1 -5.350 2.138 0.098 0.00 0.00 +0.122 C BRANCH 31 34 ATOM 32 C LIG 1 -6.719 1.188 -2.430 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -7.466 1.357 -1.134 0.00 0.00 -0.043 A ATOM 34 C LIG 1 -6.822 1.786 0.048 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -7.581 1.890 1.223 0.00 0.00 +0.128 A ATOM 36 F LIG 1 -6.999 2.293 2.363 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -8.936 1.578 1.251 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -9.566 1.147 0.089 0.00 0.00 +0.003 A ATOM 39 C LIG 1 -8.834 1.034 -1.093 0.00 0.00 +0.004 A ENDBRANCH 31 34 ENDBRANCH 23 31 ENDBRANCH 1 26 TORSDOF 7