REMARK Name = BDB017561 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.064 -3.150 -0.015 0.00 0.00 +0.119 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.212 -2.172 0.122 0.00 0.00 -0.031 A ATOM 3 C LIG 1 -3.068 -1.921 -0.950 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -4.115 -1.001 -0.823 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -4.336 -0.272 0.365 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -5.418 0.759 0.329 0.00 0.00 +0.045 A ATOM 7 N LIG 1 -5.496 1.717 1.340 0.00 0.00 -0.343 N ATOM 8 H LIG 1 -4.574 1.966 1.688 0.00 0.00 +0.146 HD ATOM 9 C LIG 1 -6.362 2.885 1.211 0.00 0.00 +0.102 C ATOM 10 C LIG 1 -7.675 2.474 0.562 0.00 0.00 +0.023 C ATOM 11 C LIG 1 -7.412 1.789 -0.781 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -6.276 0.801 -0.712 0.00 0.00 +0.038 A ATOM 13 C LIG 1 -6.097 -0.075 -1.895 0.00 0.00 +0.254 A ATOM 14 O LIG 1 -6.880 -0.064 -2.840 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -3.535 -0.604 1.485 0.00 0.00 -0.039 A ATOM 16 C LIG 1 -3.749 -0.054 2.872 0.00 0.00 +0.044 C ATOM 17 N LIG 1 -4.985 -0.861 -1.909 0.00 0.00 -0.322 N ATOM 18 H LIG 1 -4.868 -1.430 -2.736 0.00 0.00 +0.169 HD ATOM 19 C LIG 1 -2.472 -1.525 1.335 0.00 0.00 +0.009 A ENDBRANCH 1 2 BRANCH 1 23 ATOM 20 N LIG 1 1.790 -0.146 -1.147 0.00 0.00 -0.313 N ATOM 21 C LIG 1 1.020 -0.247 0.112 0.00 0.00 +0.122 C ATOM 22 C LIG 1 0.879 -1.715 0.569 0.00 0.00 +0.103 C ATOM 23 N LIG 1 0.228 -2.595 -0.423 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 0.251 -2.022 -1.781 0.00 0.00 +0.103 C ATOM 25 C LIG 1 1.569 -1.272 -2.088 0.00 0.00 +0.122 C BRANCH 20 29 ATOM 26 C LIG 1 5.849 0.780 -0.709 0.00 0.00 +0.055 A ATOM 27 C LIG 1 5.026 0.468 0.359 0.00 0.00 +0.126 A ATOM 28 N LIG 1 3.710 0.157 0.242 0.00 0.00 -0.240 NA ATOM 29 C LIG 1 3.151 0.166 -0.990 0.00 0.00 +0.121 A ATOM 30 C LIG 1 3.914 0.508 -2.111 0.00 0.00 +0.044 A ATOM 31 C LIG 1 5.269 0.817 -1.972 0.00 0.00 +0.018 A BRANCH 26 34 ATOM 32 N LIG 1 7.925 0.544 0.546 0.00 0.00 -0.312 N ATOM 33 H LIG 1 7.502 -0.266 0.979 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 7.284 1.106 -0.543 0.00 0.00 +0.246 C ATOM 35 O LIG 1 7.848 1.814 -1.369 0.00 0.00 -0.270 OA BRANCH 32 37 ATOM 36 C LIG 1 9.803 0.340 2.105 0.00 0.00 +0.024 C ATOM 37 C LIG 1 9.358 0.697 0.700 0.00 0.00 +0.101 C ENDBRANCH 32 37 ENDBRANCH 26 34 ENDBRANCH 20 29 ENDBRANCH 1 23 TORSDOF 5