REMARK Name = BDB055943 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.787 -0.697 -0.187 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.163 0.230 0.655 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -0.231 0.268 0.771 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.034 -0.634 0.067 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -0.408 -1.534 -0.802 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.989 -1.575 -0.919 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 3.666 -2.383 -1.739 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 4.030 -1.481 -0.991 0.00 0.00 +0.251 C ATOM 9 N LIG 1 3.196 -0.669 -0.244 0.00 0.00 -0.281 N ATOM 10 H LIG 1 3.636 0.035 0.340 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 5.501 -1.231 -0.866 0.00 0.00 +0.073 A ATOM 12 C LIG 1 6.047 -0.245 -0.037 0.00 0.00 +0.147 A ATOM 13 F LIG 1 5.245 0.539 0.702 0.00 0.00 -0.204 F ATOM 14 C LIG 1 7.429 -0.045 0.049 0.00 0.00 +0.091 A ATOM 15 C LIG 1 8.283 -0.853 -0.714 0.00 0.00 +0.015 A ATOM 16 C LIG 1 7.758 -1.841 -1.546 0.00 0.00 +0.001 A ATOM 17 C LIG 1 6.376 -2.028 -1.621 0.00 0.00 +0.016 A BRANCH 14 18 ATOM 18 C LIG 1 7.953 1.029 0.956 0.00 0.00 +0.420 C ATOM 19 F LIG 1 9.313 1.121 0.949 0.00 0.00 -0.166 F ATOM 20 F LIG 1 7.604 0.833 2.257 0.00 0.00 -0.166 F ATOM 21 F LIG 1 7.499 2.267 0.622 0.00 0.00 -0.166 F ENDBRANCH 14 18 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 22 ATOM 22 N LIG 1 -2.446 -0.579 0.120 0.00 0.00 -0.314 N ATOM 23 H LIG 1 -2.866 -1.387 -0.339 0.00 0.00 +0.152 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.257 -0.206 1.229 0.00 0.00 +0.044 A ATOM 25 C LIG 1 -4.512 0.426 1.052 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -5.294 0.538 2.215 0.00 0.00 +0.143 A ATOM 27 N LIG 1 -6.588 1.037 2.143 0.00 0.00 -0.306 N ATOM 28 H LIG 1 -7.115 1.052 3.004 0.00 0.00 +0.170 HD ATOM 29 C LIG 1 -7.216 1.424 0.997 0.00 0.00 +0.258 A ATOM 30 C LIG 1 -6.411 1.413 -0.249 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -7.008 1.905 -1.422 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -6.272 1.990 -2.597 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.938 1.604 -2.590 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.348 1.110 -1.418 0.00 0.00 +0.009 A ATOM 35 O LIG 1 -8.388 1.785 1.000 0.00 0.00 -0.267 OA ATOM 36 N LIG 1 -4.927 0.149 3.456 0.00 0.00 -0.237 NA ATOM 37 C LIG 1 -3.722 -0.424 3.579 0.00 0.00 +0.115 A ATOM 38 C LIG 1 -5.072 0.965 -0.220 0.00 0.00 -0.000 A ATOM 39 C LIG 1 -2.877 -0.640 2.511 0.00 0.00 +0.043 A ENDBRANCH 22 24 ENDBRANCH 4 22 TORSDOF 5