REMARK Name = BDB006359 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.929 -0.290 1.472 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -2.089 -1.391 1.244 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.695 -1.240 1.393 0.00 0.00 +0.001 A ATOM 4 C LIG 1 0.402 -2.131 1.246 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.551 -1.430 1.527 0.00 0.00 +0.087 A ATOM 6 N LIG 1 1.197 -0.138 1.832 0.00 0.00 -0.342 N ATOM 7 C LIG 1 -0.178 0.003 1.773 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -1.011 1.106 2.022 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -2.391 0.936 1.869 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 -4.857 -1.315 0.398 0.00 0.00 -0.305 N ATOM 11 H LIG 1 -4.195 -1.655 -0.285 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 -4.407 -0.397 1.324 0.00 0.00 +0.245 C ATOM 13 O LIG 1 -5.144 0.326 1.985 0.00 0.00 -0.270 OA BRANCH 10 14 ATOM 14 C LIG 1 -6.263 -1.389 0.023 0.00 0.00 +0.103 C BRANCH 14 15 ATOM 15 C LIG 1 -6.474 -0.586 -1.254 0.00 0.00 -0.027 A ATOM 16 C LIG 1 -6.819 0.773 -1.153 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -6.997 1.555 -2.296 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.823 0.993 -3.557 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.463 -0.348 -3.676 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.284 -1.131 -2.533 0.00 0.00 +0.005 A ENDBRANCH 14 15 BRANCH 14 22 ATOM 21 C LIG 1 -6.742 -3.556 1.268 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -6.713 -2.858 -0.087 0.00 0.00 +0.024 C ENDBRANCH 14 22 ENDBRANCH 10 14 ENDBRANCH 1 12 BRANCH 6 23 ATOM 23 C LIG 1 2.151 0.898 2.215 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 2.870 1.467 1.016 0.00 0.00 -0.027 A ATOM 25 C LIG 1 4.209 1.121 0.760 0.00 0.00 +0.014 A ATOM 26 C LIG 1 4.900 1.629 -0.354 0.00 0.00 -0.018 A ATOM 27 C LIG 1 4.215 2.499 -1.216 0.00 0.00 +0.008 A ATOM 28 C LIG 1 2.886 2.851 -0.975 0.00 0.00 +0.001 A ATOM 29 C LIG 1 2.217 2.337 0.135 0.00 0.00 +0.005 A BRANCH 26 30 ATOM 30 C LIG 1 6.300 1.255 -0.612 0.00 0.00 -0.018 A ATOM 31 C LIG 1 7.292 1.449 0.364 0.00 0.00 +0.009 A ATOM 32 C LIG 1 8.624 1.094 0.122 0.00 0.00 +0.015 A ATOM 33 C LIG 1 8.987 0.533 -1.106 0.00 0.00 +0.059 A ATOM 34 C LIG 1 8.011 0.333 -2.087 0.00 0.00 +0.015 A ATOM 35 C LIG 1 6.682 0.691 -1.841 0.00 0.00 +0.009 A BRANCH 33 36 ATOM 36 C LIG 1 10.384 0.140 -1.411 0.00 0.00 +0.337 C ATOM 37 O LIG 1 10.776 -0.348 -2.455 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 11.228 0.375 -0.391 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 12.096 0.072 -0.732 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 33 36 ENDBRANCH 26 30 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 9