REMARK Name = BDB011884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.376 0.073 1.002 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.256 -1.157 1.106 0.00 0.00 -0.284 N ATOM 3 C LIG 1 1.726 -1.123 1.254 0.00 0.00 +0.193 C ATOM 4 C LIG 1 2.333 -2.381 1.858 0.00 0.00 -0.015 A ATOM 5 C LIG 1 1.695 -3.622 1.693 0.00 0.00 -0.040 A ATOM 6 C LIG 1 2.289 -4.790 2.181 0.00 0.00 +0.004 A ATOM 7 C LIG 1 3.506 -4.725 2.858 0.00 0.00 +0.000 A ATOM 8 C LIG 1 4.136 -3.496 3.043 0.00 0.00 +0.000 A ATOM 9 C LIG 1 0.379 -3.657 0.967 0.00 0.00 +0.054 C ATOM 10 C LIG 1 3.557 -2.329 2.544 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -0.440 -2.424 1.345 0.00 0.00 +0.113 C ATOM 12 O LIG 1 0.261 1.126 1.158 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 2.318 -0.871 -0.169 0.00 0.00 +0.242 C ATOM 14 N LIG 1 3.386 0.013 -0.162 0.00 0.00 -0.279 N ATOM 15 H LIG 1 3.807 0.225 0.736 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 1.882 -1.450 -1.162 0.00 0.00 -0.273 OA BRANCH 14 17 ATOM 17 C LIG 1 4.076 0.541 -1.279 0.00 0.00 +0.105 A ATOM 18 C LIG 1 3.617 0.567 -2.598 0.00 0.00 +0.147 A ATOM 19 F LIG 1 2.391 0.147 -2.934 0.00 0.00 -0.203 F ATOM 20 C LIG 1 4.396 1.117 -3.621 0.00 0.00 +0.040 A ATOM 21 C LIG 1 5.646 1.666 -3.341 0.00 0.00 +0.006 A ATOM 22 C LIG 1 6.109 1.677 -2.029 0.00 0.00 +0.040 A ATOM 23 C LIG 1 5.322 1.126 -1.018 0.00 0.00 +0.147 A ATOM 24 F LIG 1 5.786 1.150 0.243 0.00 0.00 -0.203 F ENDBRANCH 14 17 ENDBRANCH 3 13 BRANCH 1 25 ATOM 25 C LIG 1 -1.877 0.142 0.630 0.00 0.00 +0.162 C BRANCH 25 26 ATOM 26 C LIG 1 -2.152 0.145 -0.898 0.00 0.00 +0.018 C ATOM 27 C LIG 1 -2.029 -1.239 -1.545 0.00 0.00 +0.006 C ATOM 28 C LIG 1 -2.523 -1.248 -2.996 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -2.429 0.110 -3.688 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -1.235 0.906 -3.188 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -1.306 1.177 -1.682 0.00 0.00 +0.006 C ENDBRANCH 25 26 BRANCH 25 33 ATOM 32 C LIG 1 -3.652 1.497 1.747 0.00 0.00 +0.230 C ATOM 33 N LIG 1 -2.379 1.380 1.233 0.00 0.00 -0.302 N ATOM 34 H LIG 1 -1.726 2.156 1.288 0.00 0.00 +0.150 HD ATOM 35 O LIG 1 -4.458 0.570 1.716 0.00 0.00 -0.274 OA BRANCH 32 36 ATOM 36 C LIG 1 -3.955 2.883 2.362 0.00 0.00 +0.137 C ATOM 37 C LIG 1 -4.920 2.714 3.537 0.00 0.00 +0.034 C BRANCH 36 39 ATOM 38 C LIG 1 -3.680 4.181 0.299 0.00 0.00 +0.101 C ATOM 39 N LIG 1 -4.576 3.796 1.377 0.00 0.00 -0.309 NA ATOM 40 H LIG 1 -4.897 4.633 1.860 0.00 0.00 +0.122 HD ENDBRANCH 36 39 ENDBRANCH 32 36 ENDBRANCH 25 33 ENDBRANCH 1 25 TORSDOF 7