REMARK Name = BDB052184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.644 -0.887 -0.426 0.00 0.00 -0.027 A ATOM 2 C LIG 1 0.360 -1.057 -1.391 0.00 0.00 +0.050 A ATOM 3 C LIG 1 1.506 -0.254 -1.391 0.00 0.00 +0.121 A ATOM 4 C LIG 1 1.652 0.726 -0.410 0.00 0.00 +0.045 A ATOM 5 C LIG 1 0.661 0.902 0.558 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.481 0.102 0.550 0.00 0.00 +0.005 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -1.885 -1.747 -0.442 0.00 0.00 +0.147 C BRANCH 7 9 ATOM 8 C LIG 1 -4.013 -0.664 0.113 0.00 0.00 +0.409 C ATOM 9 N LIG 1 -3.063 -0.992 -0.842 0.00 0.00 -0.252 N ATOM 10 O LIG 1 -3.866 -0.882 1.312 0.00 0.00 -0.226 OA BRANCH 8 11 ATOM 11 O LIG 1 -5.136 -0.064 -0.449 0.00 0.00 -0.411 OA BRANCH 11 16 ATOM 12 C LIG 1 -9.203 1.425 3.226 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -8.140 1.042 2.239 0.00 0.00 -0.050 A ATOM 14 C LIG 1 -8.162 -0.223 1.631 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -7.156 -0.597 0.740 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -6.117 0.291 0.480 0.00 0.00 +0.133 A ATOM 17 C LIG 1 -6.075 1.552 1.068 0.00 0.00 +0.047 A ATOM 18 C LIG 1 -7.084 1.921 1.958 0.00 0.00 +0.007 A ENDBRANCH 11 16 ENDBRANCH 8 11 BRANCH 9 19 ATOM 19 C LIG 1 -3.273 -0.738 -2.269 0.00 0.00 +0.231 C BRANCH 19 20 ATOM 20 C LIG 1 -4.022 -1.846 -2.998 0.00 0.00 +0.322 C ATOM 21 O LIG 1 -4.298 -1.844 -4.189 0.00 0.00 -0.249 OA BRANCH 20 22 ATOM 22 O LIG 1 -4.381 -2.893 -2.229 0.00 0.00 -0.480 OA ATOM 23 H LIG 1 -4.859 -3.491 -2.842 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 9 19 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 3 24 ATOM 24 O LIG 1 2.397 -0.543 -2.389 0.00 0.00 -0.486 OA BRANCH 24 25 ATOM 25 C LIG 1 3.541 0.308 -2.543 0.00 0.00 +0.288 C BRANCH 25 26 ATOM 26 C LIG 1 4.647 0.008 -1.592 0.00 0.00 +0.120 A ATOM 27 C LIG 1 5.110 -1.210 -1.139 0.00 0.00 +0.129 A ATOM 28 C LIG 1 4.735 -2.614 -1.375 0.00 0.00 +0.088 C ATOM 29 O LIG 1 6.134 -0.973 -0.266 0.00 0.00 -0.440 OA ATOM 30 C LIG 1 6.246 0.393 -0.233 0.00 0.00 +0.228 A ATOM 31 N LIG 1 5.384 1.021 -1.011 0.00 0.00 -0.210 NA BRANCH 30 32 ATOM 32 C LIG 1 7.279 0.950 0.637 0.00 0.00 +0.037 A ATOM 33 C LIG 1 7.456 2.343 0.696 0.00 0.00 +0.016 A ATOM 34 C LIG 1 8.435 2.905 1.520 0.00 0.00 +0.039 A ATOM 35 C LIG 1 9.240 2.075 2.289 0.00 0.00 +0.123 A ATOM 36 F LIG 1 10.178 2.613 3.080 0.00 0.00 -0.205 F ATOM 37 C LIG 1 9.086 0.696 2.249 0.00 0.00 +0.039 A ATOM 38 C LIG 1 8.107 0.133 1.425 0.00 0.00 +0.016 A ENDBRANCH 30 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 11