REMARK Name = BDB040355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.603 2.165 0.487 0.00 0.00 +0.124 A ATOM 2 N LIG 1 0.671 1.750 0.377 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.951 0.474 0.060 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.073 -0.446 -0.169 0.00 0.00 +0.048 A ATOM 5 C LIG 1 -1.422 -0.076 -0.044 0.00 0.00 -0.030 A ATOM 6 C LIG 1 -1.649 1.262 0.314 0.00 0.00 +0.048 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.304 0.082 -0.035 0.00 0.00 -0.248 N ATOM 8 C LIG 1 3.391 0.891 0.298 0.00 0.00 +0.253 C ATOM 9 O LIG 1 3.461 2.015 0.757 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 4.599 0.104 0.012 0.00 0.00 +0.042 A ATOM 11 C LIG 1 5.924 0.468 0.160 0.00 0.00 +0.013 A ATOM 12 C LIG 1 6.894 -0.473 -0.186 0.00 0.00 +0.001 A ATOM 13 C LIG 1 6.521 -1.743 -0.664 0.00 0.00 +0.013 A ATOM 14 C LIG 1 5.167 -2.102 -0.807 0.00 0.00 +0.060 A ATOM 15 C LIG 1 4.215 -1.147 -0.460 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.723 -1.226 -0.499 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 4.754 -3.455 -1.319 0.00 0.00 +0.418 C ATOM 18 F LIG 1 5.791 -4.302 -1.547 0.00 0.00 -0.166 F ATOM 19 F LIG 1 4.064 -3.371 -2.490 0.00 0.00 -0.166 F ATOM 20 F LIG 1 3.923 -4.098 -0.451 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 23 ATOM 21 C LIG 1 -2.506 3.894 -1.081 0.00 0.00 +0.030 C ATOM 22 C LIG 1 -1.369 4.419 -0.212 0.00 0.00 +0.097 C ATOM 23 N LIG 1 -0.892 3.488 0.859 0.00 0.00 -0.308 N ATOM 24 C LIG 1 0.228 4.116 1.620 0.00 0.00 +0.135 C ATOM 25 C LIG 1 1.321 4.707 0.708 0.00 0.00 +0.179 C ATOM 26 O LIG 1 0.769 5.612 -0.265 0.00 0.00 -0.376 OA ATOM 27 C LIG 1 -0.193 4.921 -1.077 0.00 0.00 +0.182 C ENDBRANCH 1 23 BRANCH 5 28 ATOM 28 C LIG 1 -2.644 -1.115 -0.254 0.00 0.00 +0.049 C ATOM 29 C LIG 1 -3.817 -0.615 -1.151 0.00 0.00 +0.174 C ATOM 30 O LIG 1 -3.748 -1.803 -1.975 0.00 0.00 -0.378 OA ATOM 31 C LIG 1 -2.479 -2.161 -1.391 0.00 0.00 +0.174 C BRANCH 28 32 ATOM 32 C LIG 1 -3.018 -1.695 1.127 0.00 0.00 +0.092 C BRANCH 32 33 ATOM 33 C LIG 1 -4.215 -2.580 1.187 0.00 0.00 +0.134 A ATOM 34 N LIG 1 -4.206 -3.938 1.379 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -3.071 -4.798 1.576 0.00 0.00 +0.151 C ATOM 36 C LIG 1 -5.510 -4.329 1.395 0.00 0.00 +0.224 A ATOM 37 N LIG 1 -6.283 -3.280 1.252 0.00 0.00 -0.138 NA ATOM 38 N LIG 1 -5.470 -2.179 1.135 0.00 0.00 -0.135 NA ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 5 28 TORSDOF 6