REMARK Name = BDB030832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.182 -1.288 -0.044 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -1.201 -1.441 -0.206 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -1.933 -0.705 -1.163 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -3.397 -0.872 -1.288 0.00 0.00 +0.085 A ATOM 5 N LIG 1 -4.013 -1.795 -0.426 0.00 0.00 -0.332 N ATOM 6 H LIG 1 -4.445 -2.512 -1.021 0.00 0.00 +0.147 HD ATOM 7 C LIG 1 -5.076 -1.343 0.513 0.00 0.00 +0.146 C ATOM 8 C LIG 1 -6.372 -0.878 -0.189 0.00 0.00 +0.300 C ATOM 9 F LIG 1 -6.979 -1.975 -0.739 0.00 0.00 -0.200 F ATOM 10 F LIG 1 -7.255 -0.411 0.740 0.00 0.00 -0.200 F ATOM 11 C LIG 1 -6.189 0.177 -1.274 0.00 0.00 +0.306 C ATOM 12 O LIG 1 -5.433 -0.298 -2.394 0.00 0.00 -0.479 OA ATOM 13 C LIG 1 -4.064 -0.151 -2.208 0.00 0.00 +0.207 A ATOM 14 C LIG 1 -3.360 0.816 -3.113 0.00 0.00 +0.295 A ATOM 15 N LIG 1 -1.984 0.941 -2.971 0.00 0.00 -0.308 N ATOM 16 C LIG 1 -1.284 1.873 -3.842 0.00 0.00 +0.152 C ATOM 17 O LIG 1 -4.022 1.469 -3.921 0.00 0.00 -0.264 OA ATOM 18 C LIG 1 -1.254 0.192 -2.002 0.00 0.00 +0.054 A ATOM 19 C LIG 1 0.134 0.325 -1.865 0.00 0.00 +0.028 A ATOM 20 C LIG 1 0.838 -0.412 -0.907 0.00 0.00 +0.025 A ENDROOT BRANCH 7 21 ATOM 21 C LIG 1 -4.506 -0.308 1.462 0.00 0.00 +0.015 C ATOM 22 C LIG 1 -4.975 -0.232 2.895 0.00 0.00 +0.006 C ATOM 23 C LIG 1 -3.592 -0.731 2.587 0.00 0.00 +0.006 C ENDBRANCH 7 21 BRANCH 1 24 ATOM 24 N LIG 1 0.856 -2.070 0.915 0.00 0.00 -0.297 N ATOM 25 H LIG 1 0.230 -2.598 1.514 0.00 0.00 +0.154 HD BRANCH 24 28 ATOM 26 C LIG 1 3.877 -0.402 2.045 0.00 0.00 +0.220 A ATOM 27 N LIG 1 2.695 -0.611 1.444 0.00 0.00 -0.196 NA ATOM 28 C LIG 1 2.075 -1.800 1.587 0.00 0.00 +0.164 A ATOM 29 C LIG 1 2.637 -2.799 2.358 0.00 0.00 +0.181 A ATOM 30 F LIG 1 2.038 -3.985 2.532 0.00 0.00 -0.200 F ATOM 31 C LIG 1 3.840 -2.518 2.947 0.00 0.00 +0.156 A ATOM 32 N LIG 1 4.475 -1.338 2.803 0.00 0.00 -0.220 NA BRANCH 26 38 ATOM 33 C LIG 1 6.525 1.982 -1.685 0.00 0.00 +0.132 C ATOM 34 N LIG 1 5.813 1.738 -0.448 0.00 0.00 -0.302 N ATOM 35 C LIG 1 4.419 1.822 -0.400 0.00 0.00 +0.233 C ATOM 36 O LIG 1 3.716 1.976 -1.398 0.00 0.00 -0.274 OA ATOM 37 C LIG 1 3.836 1.805 1.022 0.00 0.00 +0.203 C ATOM 38 N LIG 1 4.506 0.831 1.903 0.00 0.00 -0.289 N ATOM 39 C LIG 1 5.971 0.726 1.801 0.00 0.00 +0.127 C ATOM 40 C LIG 1 6.551 1.752 0.812 0.00 0.00 +0.126 C ENDBRANCH 26 38 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 4