REMARK Name = BDB050354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.968 0.193 -0.873 0.00 0.00 +0.138 A ATOM 2 C LIG 1 0.166 0.431 0.263 0.00 0.00 +0.026 A ATOM 3 C LIG 1 -1.250 0.414 0.124 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -2.013 0.661 1.299 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -1.420 0.907 2.541 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.042 0.915 2.657 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -1.814 0.148 -1.168 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -0.975 -0.120 -2.257 0.00 0.00 +0.027 A ATOM 9 C LIG 1 0.741 0.678 1.531 0.00 0.00 +0.012 A ATOM 10 C LIG 1 0.407 -0.102 -2.112 0.00 0.00 +0.049 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 -3.224 0.117 -1.322 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.777 0.358 -0.518 0.00 0.00 +0.156 HD ATOM 13 C LIG 1 -3.957 0.078 -2.477 0.00 0.00 +0.308 C ATOM 14 N LIG 1 -5.311 -0.076 -2.319 0.00 0.00 -0.269 N ATOM 15 H LIG 1 -5.808 0.174 -3.165 0.00 0.00 +0.156 HD ATOM 16 O LIG 1 -3.529 0.246 -3.616 0.00 0.00 -0.252 OA BRANCH 14 17 ATOM 17 C LIG 1 -6.082 -0.605 -1.267 0.00 0.00 +0.035 A ATOM 18 C LIG 1 -7.459 -0.357 -1.300 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -8.296 -0.853 -0.298 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -7.766 -1.620 0.736 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.402 -1.901 0.760 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -5.564 -1.403 -0.242 0.00 0.00 +0.023 A ENDBRANCH 14 17 ENDBRANCH 7 11 BRANCH 1 23 ATOM 23 O LIG 1 2.342 0.148 -0.772 0.00 0.00 -0.437 OA BRANCH 23 25 ATOM 24 C LIG 1 4.354 1.413 -0.567 0.00 0.00 +0.062 A ATOM 25 C LIG 1 3.018 1.351 -0.984 0.00 0.00 +0.230 A ATOM 26 N LIG 1 2.375 2.362 -1.625 0.00 0.00 -0.220 NA ATOM 27 C LIG 1 3.070 3.495 -1.841 0.00 0.00 +0.114 A ATOM 28 C LIG 1 4.389 3.668 -1.464 0.00 0.00 +0.021 A ATOM 29 C LIG 1 5.035 2.614 -0.823 0.00 0.00 +0.017 A BRANCH 24 32 ATOM 30 C LIG 1 5.068 -1.087 1.945 0.00 0.00 +0.215 A ATOM 31 N LIG 1 4.487 -0.075 1.292 0.00 0.00 -0.214 NA ATOM 32 C LIG 1 5.021 0.299 0.110 0.00 0.00 +0.081 A ATOM 33 C LIG 1 6.136 -0.316 -0.422 0.00 0.00 +0.048 A ATOM 34 C LIG 1 6.661 -1.342 0.322 0.00 0.00 +0.116 A ATOM 35 N LIG 1 6.147 -1.744 1.497 0.00 0.00 -0.223 NA BRANCH 30 37 ATOM 36 C LIG 1 4.522 -2.857 3.438 0.00 0.00 +0.128 C ATOM 37 N LIG 1 4.472 -1.441 3.148 0.00 0.00 -0.317 N ATOM 38 H LIG 1 3.541 -1.042 3.116 0.00 0.00 +0.149 HD ENDBRANCH 30 37 ENDBRANCH 24 32 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 6