REMARK Name = BDB038913 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.418 -1.098 -0.583 0.00 0.00 +0.098 A ATOM 2 C LIG 1 3.327 -0.377 0.207 0.00 0.00 +0.074 A ATOM 3 N LIG 1 3.144 0.728 1.013 0.00 0.00 -0.352 N ATOM 4 H LIG 1 2.264 1.213 1.126 0.00 0.00 +0.166 HD ATOM 5 C LIG 1 4.319 1.109 1.614 0.00 0.00 +0.050 A ATOM 6 C LIG 1 5.303 0.217 1.191 0.00 0.00 +0.008 A ATOM 7 C LIG 1 6.620 0.386 1.670 0.00 0.00 +0.013 A ATOM 8 C LIG 1 6.902 1.439 2.549 0.00 0.00 +0.039 A ATOM 9 C LIG 1 5.893 2.307 2.944 0.00 0.00 +0.125 A ATOM 10 F LIG 1 6.186 3.308 3.785 0.00 0.00 -0.205 F ATOM 11 C LIG 1 4.582 2.168 2.491 0.00 0.00 +0.064 A ATOM 12 C LIG 1 4.678 -0.720 0.309 0.00 0.00 +0.012 A ATOM 13 C LIG 1 5.149 -1.828 -0.407 0.00 0.00 +0.045 A ATOM 14 CA LIG 1 4.209 -2.507 -1.162 0.00 0.00 +0.149 A ATOM 15 N LIG 1 2.886 -2.185 -1.259 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 -1.786 -0.303 -0.950 0.00 0.00 +0.054 A ATOM 17 C LIG 1 -0.876 0.748 -1.005 0.00 0.00 +0.063 A ATOM 18 C LIG 1 0.489 0.488 -0.889 0.00 0.00 +0.134 A ATOM 19 F LIG 1 1.328 1.532 -0.959 0.00 0.00 -0.205 F ATOM 20 C LIG 1 0.988 -0.809 -0.703 0.00 0.00 +0.038 A ATOM 21 C LIG 1 0.047 -1.855 -0.644 0.00 0.00 +0.015 A ATOM 22 C LIG 1 -1.326 -1.607 -0.755 0.00 0.00 +0.025 A BRANCH 16 24 ATOM 23 C LIG 1 -3.955 -0.727 -2.043 0.00 0.00 +0.157 C ATOM 24 N LIG 1 -3.190 0.012 -1.009 0.00 0.00 -0.206 N BRANCH 24 25 ATOM 25 S LIG 1 -3.922 0.036 0.552 0.00 0.00 +0.074 S ATOM 26 O LIG 1 -4.241 -1.332 0.911 0.00 0.00 -0.150 OA ATOM 27 O LIG 1 -3.130 0.875 1.429 0.00 0.00 -0.150 OA BRANCH 25 28 ATOM 28 C LIG 1 -5.445 0.900 0.246 0.00 0.00 +0.109 A ATOM 29 C LIG 1 -5.397 2.260 -0.077 0.00 0.00 +0.029 A ATOM 30 C LIG 1 -6.585 2.948 -0.319 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -7.809 2.281 -0.231 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.850 0.925 0.103 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -6.667 0.229 0.346 0.00 0.00 +0.029 A ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 16 24 ENDBRANCH 1 20 BRANCH 14 34 ATOM 34 C LIG 1 4.619 -3.701 -1.958 0.00 0.00 +0.355 C ATOM 35 O LIG 1 5.742 -4.169 -1.994 0.00 0.00 -0.243 OA BRANCH 34 36 ATOM 36 OXT LIG 1 3.558 -4.195 -2.643 0.00 0.00 -0.476 OA ATOM 37 HXT LIG 1 2.772 -3.631 -2.447 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 14 34 TORSDOF 6