REMARK Name = BDB038902 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.418 -0.971 -0.190 0.00 0.00 +0.096 A ATOM 2 C LIG 1 -3.413 0.012 -0.267 0.00 0.00 +0.074 A ATOM 3 N LIG 1 -3.334 1.382 -0.135 0.00 0.00 -0.352 N ATOM 4 H LIG 1 -2.482 1.890 0.059 0.00 0.00 +0.166 HD ATOM 5 C LIG 1 -4.567 1.969 -0.291 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -5.483 0.941 -0.512 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -6.839 1.274 -0.699 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -7.212 2.617 -0.658 0.00 0.00 +0.124 A ATOM 9 F LIG 1 -8.500 2.942 -0.835 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -6.284 3.626 -0.436 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -4.934 3.320 -0.246 0.00 0.00 +0.029 A ATOM 12 C LIG 1 -4.758 -0.292 -0.485 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -5.129 -1.636 -0.627 0.00 0.00 +0.045 A ATOM 14 CA LIG 1 -4.105 -2.564 -0.523 0.00 0.00 +0.149 A ATOM 15 N LIG 1 -2.791 -2.273 -0.306 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 19 ATOM 16 C LIG 1 1.738 -0.166 0.472 0.00 0.00 +0.051 A ATOM 17 C LIG 1 1.067 -1.097 1.264 0.00 0.00 +0.025 A ATOM 18 C LIG 1 -0.291 -1.352 1.044 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -1.000 -0.689 0.028 0.00 0.00 +0.003 A ATOM 20 C LIG 1 -0.297 0.221 -0.780 0.00 0.00 +0.012 A ATOM 21 C LIG 1 1.060 0.479 -0.561 0.00 0.00 +0.025 A BRANCH 16 23 ATOM 22 C LIG 1 3.543 0.534 1.992 0.00 0.00 +0.157 C ATOM 23 N LIG 1 3.145 0.103 0.630 0.00 0.00 -0.206 N BRANCH 23 24 ATOM 24 S LIG 1 4.131 -1.136 -0.052 0.00 0.00 +0.074 S ATOM 25 O LIG 1 3.710 -1.387 -1.414 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 4.232 -2.209 0.917 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 5.720 -0.338 -0.153 0.00 0.00 +0.109 A ATOM 28 C LIG 1 5.894 0.707 -1.069 0.00 0.00 +0.031 A ATOM 29 C LIG 1 7.135 1.337 -1.161 0.00 0.00 +0.040 A ATOM 30 C LIG 1 8.182 0.913 -0.347 0.00 0.00 +0.124 A ATOM 31 F LIG 1 9.372 1.520 -0.437 0.00 0.00 -0.205 F ATOM 32 C LIG 1 8.015 -0.133 0.557 0.00 0.00 +0.040 A ATOM 33 C LIG 1 6.777 -0.769 0.656 0.00 0.00 +0.031 A ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 16 23 ENDBRANCH 1 19 BRANCH 14 34 ATOM 34 C LIG 1 -4.408 -4.019 -0.653 0.00 0.00 +0.355 C ATOM 35 O LIG 1 -5.518 -4.491 -0.823 0.00 0.00 -0.243 OA BRANCH 34 36 ATOM 36 OXT LIG 1 -3.269 -4.748 -0.555 0.00 0.00 -0.476 OA ATOM 37 HXT LIG 1 -2.509 -4.130 -0.432 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 14 34 TORSDOF 6