REMARK Name = BDB038482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.998 0.519 0.596 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -0.954 -0.326 0.982 0.00 0.00 +0.052 A ATOM 3 C LIG 1 0.356 0.026 0.685 0.00 0.00 +0.131 A ATOM 4 N LIG 1 0.653 1.173 0.029 0.00 0.00 -0.217 NA ATOM 5 C LIG 1 -0.344 1.995 -0.352 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -1.670 1.704 -0.066 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.447 -0.789 1.040 0.00 0.00 -0.248 N ATOM 8 C LIG 1 1.415 -2.040 1.638 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.478 -2.738 1.976 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.814 -2.456 1.808 0.00 0.00 +0.042 A ATOM 11 C LIG 1 3.309 -3.621 2.362 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.695 -3.777 2.402 0.00 0.00 +0.001 A ATOM 13 C LIG 1 5.543 -2.775 1.891 0.00 0.00 +0.013 A ATOM 14 C LIG 1 5.025 -1.594 1.327 0.00 0.00 +0.060 A ATOM 15 C LIG 1 3.640 -1.456 1.298 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.801 -0.333 0.773 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.924 -0.517 0.779 0.00 0.00 +0.418 C ATOM 18 F LIG 1 7.247 -0.828 0.835 0.00 0.00 -0.166 F ATOM 19 F LIG 1 5.783 0.660 1.446 0.00 0.00 -0.166 F ATOM 20 F LIG 1 5.658 -0.241 -0.528 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 22 ATOM 21 C LIG 1 -4.352 -0.036 -0.159 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -3.404 0.170 0.871 0.00 0.00 -0.007 A ATOM 23 C LIG 1 -3.836 0.055 2.206 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -5.167 -0.236 2.515 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -6.095 -0.412 1.494 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -5.691 -0.310 0.164 0.00 0.00 +0.012 A BRANCH 21 29 ATOM 27 C LIG 1 -2.769 -2.188 -1.761 0.00 0.00 +0.152 C ATOM 28 N LIG 1 -3.269 -0.932 -2.253 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -3.986 0.021 -1.572 0.00 0.00 +0.164 A ATOM 30 N LIG 1 -4.282 0.993 -2.416 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 -3.731 0.690 -3.640 0.00 0.00 -0.138 NA ATOM 32 C LIG 1 -3.130 -0.469 -3.526 0.00 0.00 +0.225 A ENDBRANCH 21 29 ENDBRANCH 1 22 BRANCH 5 33 ATOM 33 N LIG 1 -0.061 3.204 -1.010 0.00 0.00 -0.327 N ATOM 34 H LIG 1 -0.688 3.292 -1.809 0.00 0.00 +0.148 HD BRANCH 33 35 ATOM 35 C LIG 1 1.341 3.390 -1.374 0.00 0.00 +0.130 C BRANCH 35 36 ATOM 36 C LIG 1 1.544 4.754 -2.043 0.00 0.00 +0.174 C BRANCH 36 37 ATOM 37 O LIG 1 2.883 4.908 -2.506 0.00 0.00 -0.393 OA ATOM 38 H LIG 1 3.026 4.254 -3.211 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 5 33 TORSDOF 8