REMARK Name = BDB038327 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.154 1.590 -0.818 0.00 0.00 +0.122 A ATOM 2 N LIG 1 -1.025 1.051 -0.455 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -1.123 -0.295 -0.347 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.043 -1.129 -0.602 0.00 0.00 +0.054 A ATOM 5 C LIG 1 1.165 -0.570 -1.017 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.251 0.812 -1.146 0.00 0.00 +0.053 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.378 -0.801 0.042 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -2.764 -2.129 0.149 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -2.154 -3.158 -0.070 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -4.165 -2.120 0.593 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.996 -3.193 0.854 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -6.299 -2.913 1.266 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.735 -1.581 1.404 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -5.878 -0.497 1.134 0.00 0.00 +0.060 A ATOM 15 C LIG 1 -4.582 -0.797 0.725 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -3.454 0.120 0.366 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -6.337 0.929 1.277 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -6.248 1.620 0.108 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -5.590 1.624 2.179 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -7.628 1.050 1.688 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 C LIG 1 2.328 -1.415 -1.296 0.00 0.00 +0.079 A ATOM 22 N LIG 1 2.344 -2.411 -2.250 0.00 0.00 -0.266 N ATOM 23 C LIG 1 1.280 -2.783 -3.158 0.00 0.00 +0.173 C ATOM 24 N LIG 1 3.516 -3.073 -2.326 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 4.274 -2.474 -1.409 0.00 0.00 +0.146 A ATOM 26 C LIG 1 3.602 -1.435 -0.741 0.00 0.00 +0.064 A BRANCH 26 27 ATOM 27 C LIG 1 4.134 -0.496 0.392 0.00 0.00 +0.167 A ATOM 28 N LIG 1 5.372 -0.486 0.982 0.00 0.00 -0.316 N ATOM 29 C LIG 1 6.492 -1.349 0.730 0.00 0.00 +0.152 C ATOM 30 C LIG 1 5.357 0.526 1.893 0.00 0.00 +0.225 A ATOM 31 N LIG 1 4.186 1.114 1.880 0.00 0.00 -0.138 NA ATOM 32 N LIG 1 3.417 0.465 0.946 0.00 0.00 -0.129 NA ENDBRANCH 26 27 ENDBRANCH 5 21 BRANCH 1 33 ATOM 33 N LIG 1 0.191 2.983 -0.860 0.00 0.00 -0.327 N ATOM 34 H LIG 1 -0.737 3.279 -0.559 0.00 0.00 +0.148 HD BRANCH 33 36 ATOM 35 C LIG 1 0.982 3.465 1.436 0.00 0.00 +0.027 C ATOM 36 C LIG 1 1.250 3.619 -0.062 0.00 0.00 +0.066 C ATOM 37 C LIG 1 1.289 5.102 -0.436 0.00 0.00 +0.027 C ENDBRANCH 33 36 ENDBRANCH 1 33 TORSDOF 6