REMARK Name = BDB055932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.019 -0.374 0.201 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.370 -0.985 1.272 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.000 -0.781 1.485 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.743 0.060 0.650 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -0.094 0.644 -0.442 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.273 0.440 -0.659 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 4.108 -1.990 1.593 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 4.312 -1.273 0.623 0.00 0.00 +0.249 C ATOM 9 N LIG 1 3.393 -0.524 -0.084 0.00 0.00 -0.281 N ATOM 10 H LIG 1 3.720 -0.026 -0.904 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 5.697 -1.224 0.086 0.00 0.00 +0.049 A ATOM 12 C LIG 1 6.413 -0.025 -0.080 0.00 0.00 +0.067 A ATOM 13 C LIG 1 7.717 -0.093 -0.607 0.00 0.00 +0.013 A ATOM 14 C LIG 1 8.296 -1.321 -0.935 0.00 0.00 +0.001 A ATOM 15 C LIG 1 7.587 -2.502 -0.738 0.00 0.00 +0.001 A ATOM 16 C LIG 1 6.292 -2.456 -0.225 0.00 0.00 +0.013 A BRANCH 12 17 ATOM 17 C LIG 1 5.822 1.308 0.288 0.00 0.00 +0.418 C ATOM 18 F LIG 1 4.854 1.687 -0.596 0.00 0.00 -0.166 F ATOM 19 F LIG 1 5.251 1.333 1.519 0.00 0.00 -0.166 F ATOM 20 F LIG 1 6.732 2.322 0.283 0.00 0.00 -0.166 F ENDBRANCH 12 17 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 21 ATOM 21 N LIG 1 -2.134 0.204 0.858 0.00 0.00 -0.314 N ATOM 22 H LIG 1 -2.412 -0.164 1.768 0.00 0.00 +0.152 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.942 1.337 0.556 0.00 0.00 +0.044 A ATOM 24 C LIG 1 -4.301 1.202 0.182 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -5.026 2.406 0.124 0.00 0.00 +0.143 A ATOM 26 N LIG 1 -6.392 2.388 -0.124 0.00 0.00 -0.306 N ATOM 27 H LIG 1 -6.865 3.280 -0.110 0.00 0.00 +0.170 HD ATOM 28 C LIG 1 -7.143 1.264 -0.299 0.00 0.00 +0.258 A ATOM 29 C LIG 1 -6.419 -0.031 -0.335 0.00 0.00 +0.047 A ATOM 30 C LIG 1 -7.161 -1.191 -0.614 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -6.518 -2.416 -0.737 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.138 -2.475 -0.601 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.403 -1.315 -0.319 0.00 0.00 +0.009 A ATOM 34 O LIG 1 -8.360 1.322 -0.441 0.00 0.00 -0.267 OA ATOM 35 N LIG 1 -4.526 3.643 0.339 0.00 0.00 -0.237 NA ATOM 36 C LIG 1 -3.230 3.723 0.671 0.00 0.00 +0.115 A ATOM 37 C LIG 1 -5.020 -0.063 -0.142 0.00 0.00 -0.000 A ATOM 38 C LIG 1 -2.418 2.617 0.811 0.00 0.00 +0.043 A ENDBRANCH 21 23 ENDBRANCH 4 21 TORSDOF 5