REMARK Name = BDB032166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.151 1.629 1.926 0.00 0.00 +0.126 A ATOM 2 C LIG 1 3.972 1.069 0.964 0.00 0.00 +0.024 A ATOM 3 C LIG 1 5.366 0.557 1.092 0.00 0.00 +0.148 C ATOM 4 N LIG 1 5.695 0.173 -0.276 0.00 0.00 -0.281 N ATOM 5 C LIG 1 4.595 0.263 -1.115 0.00 0.00 +0.248 C ATOM 6 O LIG 1 4.492 -0.104 -2.269 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 3.518 0.884 -0.339 0.00 0.00 +0.045 A ATOM 8 C LIG 1 2.247 1.239 -0.747 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.401 1.822 0.206 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.857 2.004 1.537 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 6.904 -0.583 -0.581 0.00 0.00 +0.163 C ATOM 12 C LIG 1 6.656 -2.096 -0.480 0.00 0.00 +0.240 C ATOM 13 O LIG 1 5.839 -2.603 0.288 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 7.494 -2.894 -1.225 0.00 0.00 -0.255 N ATOM 15 H LIG 1 7.351 -3.891 -1.132 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 8.554 -2.509 -2.006 0.00 0.00 +0.219 C ATOM 17 O LIG 1 9.298 -3.341 -2.518 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 8.806 -1.024 -2.122 0.00 0.00 +0.098 C ATOM 19 C LIG 1 7.523 -0.230 -1.933 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 2.853 2.298 4.185 0.00 0.00 +0.277 C ATOM 21 O LIG 1 3.692 1.757 3.171 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 -0.010 2.205 -0.169 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 -0.836 1.058 0.043 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 -2.155 1.285 -0.189 0.00 0.00 +0.405 C ATOM 25 N LIG 1 -2.825 0.116 0.028 0.00 0.00 -0.251 N ATOM 26 H LIG 1 -2.221 -0.650 0.293 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 -2.608 2.366 -0.530 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 -4.203 -0.137 -0.082 0.00 0.00 +0.040 A ATOM 29 C LIG 1 -5.142 0.835 -0.434 0.00 0.00 +0.069 A ATOM 30 C LIG 1 -6.471 0.460 -0.515 0.00 0.00 +0.126 A ATOM 31 O LIG 1 -7.490 1.319 -0.843 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -8.601 0.432 -1.121 0.00 0.00 +0.240 C ATOM 33 C LIG 1 -8.386 -0.890 -0.354 0.00 0.00 +0.028 C ATOM 34 C LIG 1 -8.908 -2.089 -1.144 0.00 0.00 +0.019 C ATOM 35 C LIG 1 -9.031 -0.838 1.036 0.00 0.00 +0.019 C ATOM 36 C LIG 1 -6.898 -0.832 -0.242 0.00 0.00 +0.003 A ATOM 37 C LIG 1 -5.986 -1.808 0.114 0.00 0.00 +0.009 A ATOM 38 C LIG 1 -4.633 -1.454 0.188 0.00 0.00 +0.024 A ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 6