REMARK Name = BDB058833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.154 -2.241 -1.103 0.00 0.00 +0.034 A ATOM 2 C LIG 1 2.505 -1.087 -0.394 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.529 -0.231 0.133 0.00 0.00 +0.015 A ATOM 4 C LIG 1 0.174 -0.508 -0.052 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -0.199 -1.665 -0.741 0.00 0.00 +0.015 A ATOM 6 C LIG 1 0.785 -2.516 -1.260 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -0.831 0.426 0.522 0.00 0.00 +0.244 C ATOM 8 N LIG 1 -2.006 0.564 -0.189 0.00 0.00 -0.308 N ATOM 9 H LIG 1 -2.120 0.067 -1.061 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 -0.589 1.035 1.557 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 -3.110 1.391 0.295 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -3.918 0.670 1.385 0.00 0.00 +0.046 C ATOM 13 C LIG 1 -5.233 0.036 0.887 0.00 0.00 +0.043 C ATOM 14 C LIG 1 -4.923 -1.182 -0.015 0.00 0.00 +0.030 C ATOM 15 C LIG 1 -5.987 -0.526 2.118 0.00 0.00 +0.030 C ATOM 16 N LIG 1 -6.065 0.954 0.069 0.00 0.00 -0.180 NA ATOM 17 C LIG 1 -5.422 2.178 -0.470 0.00 0.00 +0.043 C ATOM 18 C LIG 1 -6.209 2.563 -1.743 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -5.458 3.401 0.479 0.00 0.00 +0.030 C ATOM 20 C LIG 1 -3.970 1.871 -0.880 0.00 0.00 +0.046 C BRANCH 16 21 ATOM 21 O LIG 1 -7.243 1.373 0.805 0.00 0.00 -0.311 OA ATOM 22 H LIG 1 -7.956 0.959 0.284 0.00 0.00 +0.237 HD ENDBRANCH 16 21 ENDBRANCH 8 11 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 N LIG 1 3.080 -3.139 -1.643 0.00 0.00 -0.284 N ATOM 24 H LIG 1 2.713 -3.921 -2.163 0.00 0.00 +0.155 HD BRANCH 23 30 ATOM 25 C LIG 1 6.576 -2.393 -1.117 0.00 0.00 +0.165 A ATOM 26 C LIG 1 7.162 -3.453 -1.786 0.00 0.00 +0.181 A ATOM 27 F LIG 1 8.492 -3.602 -1.845 0.00 0.00 -0.200 F ATOM 28 C LIG 1 6.319 -4.357 -2.375 0.00 0.00 +0.156 A ATOM 29 N LIG 1 4.977 -4.253 -2.328 0.00 0.00 -0.220 NA ATOM 30 C LIG 1 4.471 -3.196 -1.667 0.00 0.00 +0.221 A ATOM 31 N LIG 1 5.235 -2.271 -1.066 0.00 0.00 -0.196 NA BRANCH 25 32 ATOM 32 N LIG 1 7.428 -1.424 -0.531 0.00 0.00 -0.279 N ATOM 33 H LIG 1 8.296 -1.848 -0.226 0.00 0.00 +0.155 HD BRANCH 32 38 ATOM 34 C LIG 1 7.640 2.891 1.867 0.00 0.00 +0.089 C ATOM 35 C LIG 1 7.330 1.696 1.065 0.00 0.00 +0.136 A ATOM 36 O LIG 1 6.140 1.699 0.413 0.00 0.00 -0.358 OA ATOM 37 N LIG 1 6.001 0.521 -0.291 0.00 0.00 -0.063 NA ATOM 38 C LIG 1 7.101 -0.201 -0.050 0.00 0.00 +0.167 A ATOM 39 C LIG 1 7.981 0.518 0.799 0.00 0.00 +0.091 A ENDBRANCH 32 38 ENDBRANCH 25 32 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 7