REMARK Name = BDB027435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.264 0.902 0.548 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.536 0.966 -0.650 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.845 2.022 -1.511 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.779 2.974 -1.274 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.465 2.909 -0.111 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.233 1.888 0.812 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.468 3.974 0.096 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.151 4.533 -1.002 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.099 5.537 -0.823 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -5.734 6.041 -1.890 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.386 6.012 0.448 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -6.298 6.978 0.621 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.726 5.492 1.553 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.772 4.481 1.377 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 0.445 -0.002 -0.927 0.00 0.00 -0.326 N ATOM 16 C LIG 1 1.813 0.478 -0.588 0.00 0.00 +0.133 C ATOM 17 C LIG 1 2.934 -0.495 -1.104 0.00 0.00 +0.075 C ATOM 18 C LIG 1 2.349 -1.908 -1.337 0.00 0.00 +0.031 C ATOM 19 C LIG 1 1.146 -1.909 -2.291 0.00 0.00 +0.021 C ATOM 20 C LIG 1 0.354 -0.599 -2.270 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 C LIG 1 4.095 -0.511 -0.093 0.00 0.00 +0.066 A ATOM 22 N LIG 1 5.238 0.126 -0.458 0.00 0.00 -0.238 NA ATOM 23 C LIG 1 6.244 0.121 0.432 0.00 0.00 +0.221 A ATOM 24 N LIG 1 6.218 -0.443 1.646 0.00 0.00 -0.244 NA ATOM 25 C LIG 1 5.069 -1.054 1.977 0.00 0.00 +0.114 A ATOM 26 C LIG 1 3.972 -1.118 1.147 0.00 0.00 +0.045 A ENDBRANCH 17 21 BRANCH 17 27 ATOM 27 N LIG 1 3.430 -0.023 -2.437 0.00 0.00 -0.319 NA ATOM 28 H LIG 1 3.971 0.829 -2.251 0.00 0.00 +0.119 HD ATOM 29 H LIG 1 4.153 -0.681 -2.736 0.00 0.00 +0.119 HD ENDBRANCH 17 27 ENDBRANCH 2 15 BRANCH 1 30 ATOM 30 C LIG 1 -1.033 -0.195 1.563 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -0.644 -4.965 0.843 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -1.200 -3.683 0.699 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -2.301 -3.221 0.008 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 -2.330 -1.927 0.253 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -1.295 -1.533 1.061 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -0.573 -2.652 1.381 0.00 0.00 +0.166 A ATOM 37 N LIG 1 0.503 -2.745 2.184 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 0.927 -4.024 2.266 0.00 0.00 +0.225 A ATOM 39 N LIG 1 0.427 -5.118 1.654 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -1.157 -6.092 0.212 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -2.119 -5.980 -0.087 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -0.908 -6.946 0.692 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 7