REMARK Name = BDB000300 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.936 -0.038 0.468 0.00 0.00 -0.011 A ATOM 2 C LIG 1 0.768 0.383 -0.198 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -0.464 -0.268 -0.024 0.00 0.00 +0.079 A ATOM 4 N LIG 1 -1.647 0.137 -0.698 0.00 0.00 -0.263 N ATOM 5 C LIG 1 -2.869 -0.468 -0.408 0.00 0.00 +0.268 C ATOM 6 C LIG 1 -2.863 -1.508 0.747 0.00 0.00 +0.208 C ATOM 7 O LIG 1 -1.616 -2.105 1.103 0.00 0.00 -0.470 OA ATOM 8 C LIG 1 -3.338 -0.753 2.006 0.00 0.00 +0.071 C ATOM 9 O LIG 1 -3.912 -0.133 -0.979 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.501 -1.366 0.841 0.00 0.00 +0.144 A ATOM 11 C LIG 1 0.653 -1.813 1.490 0.00 0.00 +0.048 A ATOM 12 C LIG 1 1.864 -1.151 1.311 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -3.768 -2.694 0.359 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -3.293 -3.640 -0.575 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -4.078 -4.725 -0.972 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -5.356 -4.880 -0.447 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 -6.327 -6.214 -0.932 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 -5.854 -3.956 0.467 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -5.068 -2.870 0.865 0.00 0.00 +0.009 A ENDBRANCH 6 13 BRANCH 1 21 ATOM 20 C LIG 1 4.089 0.471 -0.739 0.00 0.00 +0.056 A ATOM 21 C LIG 1 3.194 0.702 0.303 0.00 0.00 +0.043 A ATOM 22 C LIG 1 3.571 1.720 1.185 0.00 0.00 +0.129 A ATOM 23 N LIG 1 4.712 2.412 1.064 0.00 0.00 -0.199 NA ATOM 24 C LIG 1 5.509 2.096 0.047 0.00 0.00 +0.214 A ATOM 25 N LIG 1 5.243 1.165 -0.870 0.00 0.00 -0.219 NA BRANCH 22 26 ATOM 26 N LIG 1 2.769 2.053 2.296 0.00 0.00 -0.343 N ATOM 27 H LIG 1 1.821 2.237 1.984 0.00 0.00 +0.144 HD ATOM 28 H LIG 1 2.731 1.252 2.921 0.00 0.00 +0.144 HD ENDBRANCH 22 26 BRANCH 24 29 ATOM 29 N LIG 1 6.677 2.815 -0.098 0.00 0.00 -0.327 N ATOM 30 H LIG 1 6.573 3.711 0.359 0.00 0.00 +0.145 HD ATOM 31 H LIG 1 6.952 2.819 -1.070 0.00 0.00 +0.145 HD ENDBRANCH 24 29 BRANCH 20 33 ATOM 32 C LIG 1 4.501 -1.915 -1.398 0.00 0.00 +0.010 C ATOM 33 C LIG 1 3.867 -0.589 -1.791 0.00 0.00 +0.053 C ENDBRANCH 20 33 ENDBRANCH 1 21 BRANCH 4 34 ATOM 34 C LIG 1 -1.645 1.175 -1.737 0.00 0.00 +0.132 C BRANCH 34 35 ATOM 35 C LIG 1 -2.200 2.526 -1.250 0.00 0.00 +0.123 C BRANCH 35 36 ATOM 36 N LIG 1 -1.373 3.199 -0.259 0.00 0.00 -0.314 N ATOM 37 H LIG 1 -1.817 3.483 0.604 0.00 0.00 +0.149 HD ATOM 38 C LIG 1 -0.195 3.812 -0.621 0.00 0.00 +0.210 C ATOM 39 O LIG 1 0.299 3.711 -1.738 0.00 0.00 -0.276 OA ATOM 40 C LIG 1 0.445 4.617 0.476 0.00 0.00 +0.109 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 8