REMARK Name = BDB035033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.977 0.626 -0.230 0.00 0.00 +0.046 A ATOM 2 N LIG 1 -0.306 0.922 -0.737 0.00 0.00 -0.281 N ATOM 3 C LIG 1 -0.676 1.706 -1.863 0.00 0.00 +0.229 C ATOM 4 O LIG 1 -1.804 1.609 -2.336 0.00 0.00 -0.273 OA ATOM 5 C LIG 1 0.330 2.677 -2.395 0.00 0.00 +0.113 C ATOM 6 C LIG 1 -1.242 0.301 0.107 0.00 0.00 +0.075 A ATOM 7 C LIG 1 -0.561 -0.248 1.183 0.00 0.00 +0.092 A ATOM 8 N LIG 1 -1.154 -0.890 2.213 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 -2.490 -0.989 2.154 0.00 0.00 +0.120 A ATOM 10 C LIG 1 -3.275 -0.460 1.128 0.00 0.00 -0.009 A ATOM 11 C LIG 1 -4.772 -0.581 1.140 0.00 0.00 +0.047 C ATOM 12 C LIG 1 -2.642 0.204 0.069 0.00 0.00 +0.035 A ATOM 13 C LIG 1 0.807 -0.025 0.984 0.00 0.00 +0.053 A ENDROOT BRANCH 9 14 ATOM 14 N LIG 1 -3.077 -1.656 3.234 0.00 0.00 -0.343 N ATOM 15 H LIG 1 -2.313 -1.984 3.819 0.00 0.00 +0.144 HD ATOM 16 H LIG 1 -3.657 -2.423 2.914 0.00 0.00 +0.144 HD ENDBRANCH 9 14 BRANCH 1 17 ATOM 17 C LIG 1 2.260 0.932 -0.935 0.00 0.00 +0.158 C BRANCH 17 20 ATOM 18 C LIG 1 4.838 -1.791 -0.403 0.00 0.00 +0.109 C ATOM 19 C LIG 1 3.788 -0.993 -1.127 0.00 0.00 +0.210 C ATOM 20 N LIG 1 3.316 0.090 -0.424 0.00 0.00 -0.310 N ATOM 21 H LIG 1 3.648 0.259 0.515 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 3.413 -1.287 -2.258 0.00 0.00 -0.276 OA ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 3