REMARK Name = BDB005606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.469 0.535 -0.314 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -0.802 0.653 0.913 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.579 0.454 0.987 0.00 0.00 +0.051 A ATOM 4 C LIG 1 1.340 0.176 -0.157 0.00 0.00 +0.020 A ATOM 5 C LIG 1 2.809 0.002 -0.020 0.00 0.00 +0.047 A ATOM 6 N LIG 1 3.607 -0.154 -1.172 0.00 0.00 -0.332 N ATOM 7 C LIG 1 3.712 0.962 -2.129 0.00 0.00 +0.129 C ATOM 8 C LIG 1 4.888 -0.872 -0.996 0.00 0.00 +0.105 C ATOM 9 C LIG 1 5.652 -0.264 0.176 0.00 0.00 +0.024 C ATOM 10 C LIG 1 4.810 -0.305 1.454 0.00 0.00 +0.044 C ATOM 11 C LIG 1 3.345 -0.044 1.218 0.00 0.00 +0.039 A ATOM 12 C LIG 1 2.518 0.194 2.433 0.00 0.00 +0.254 A ATOM 13 O LIG 1 2.999 0.149 3.563 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 0.658 0.022 -1.372 0.00 0.00 +0.012 A ATOM 15 N LIG 1 1.199 0.484 2.239 0.00 0.00 -0.322 N ATOM 16 H LIG 1 0.652 0.638 3.074 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -0.727 0.209 -1.455 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 -2.966 0.754 -0.398 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 -3.744 -0.134 0.485 0.00 0.00 -0.299 NA BRANCH 19 21 ATOM 20 C LIG 1 -4.113 -1.995 -1.226 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -3.600 -1.562 0.145 0.00 0.00 +0.081 C ENDBRANCH 19 21 BRANCH 19 22 ATOM 22 C LIG 1 -5.159 0.261 0.554 0.00 0.00 +0.081 C ATOM 23 C LIG 1 -5.373 1.525 1.382 0.00 0.00 +0.020 C ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 4