REMARK Name = BDB027328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.504 -0.261 0.552 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.306 0.670 -0.120 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.027 2.013 0.090 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.020 2.474 0.891 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.792 1.564 1.527 0.00 0.00 +0.074 A ATOM 6 C LIG 1 -1.551 0.202 1.379 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.865 2.124 2.374 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -4.093 1.472 2.581 0.00 0.00 +0.135 A ATOM 9 F LIG 1 -4.351 0.295 1.990 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -5.096 2.014 3.384 0.00 0.00 +0.077 A ATOM 11 C LIG 1 -4.883 3.239 3.996 0.00 0.00 +0.126 A ATOM 12 F LIG 1 -5.841 3.767 4.768 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -3.691 3.926 3.816 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -2.692 3.373 3.009 0.00 0.00 +0.015 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.361 0.275 -0.939 0.00 0.00 -0.327 N ATOM 16 C LIG 1 2.552 -0.319 -0.280 0.00 0.00 +0.129 C ATOM 17 C LIG 1 3.865 0.471 -0.590 0.00 0.00 +0.064 C ATOM 18 C LIG 1 4.060 0.528 -2.133 0.00 0.00 +0.028 C ATOM 19 C LIG 1 2.766 0.385 -2.945 0.00 0.00 +0.021 C ATOM 20 C LIG 1 1.555 0.960 -2.224 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 N LIG 1 3.745 1.862 -0.086 0.00 0.00 -0.321 NA ATOM 22 H LIG 1 3.735 1.865 0.936 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 2.828 2.227 -0.342 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 17 24 ATOM 24 C LIG 1 5.065 -0.250 0.103 0.00 0.00 +0.202 C BRANCH 24 25 ATOM 25 C LIG 1 6.418 0.448 -0.092 0.00 0.00 +0.371 C ATOM 26 F LIG 1 6.518 1.539 0.706 0.00 0.00 -0.206 F ATOM 27 F LIG 1 7.390 -0.411 0.338 0.00 0.00 -0.206 F ENDBRANCH 24 25 BRANCH 24 28 ATOM 28 O LIG 1 5.141 -1.618 -0.346 0.00 0.00 -0.384 OA ATOM 29 H LIG 1 5.983 -1.976 0.003 0.00 0.00 +0.210 HD ENDBRANCH 24 28 ENDBRANCH 17 24 ENDBRANCH 2 15 BRANCH 1 30 ATOM 30 C LIG 1 -0.385 -1.752 0.344 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -4.114 -3.478 -2.215 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -2.817 -2.980 -2.003 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -1.762 -2.728 -2.859 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 -0.806 -2.262 -2.082 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -1.199 -2.193 -0.771 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -2.483 -2.655 -0.698 0.00 0.00 +0.166 A ATOM 37 N LIG 1 -3.259 -2.766 0.393 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -4.480 -3.235 0.065 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -4.947 -3.586 -1.154 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -4.593 -3.847 -3.466 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -4.075 -3.425 -4.229 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -5.603 -3.810 -3.507 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 9