REMARK Name = BDB027473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.942 -0.771 0.633 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.167 -0.621 -0.527 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.096 -1.737 -1.366 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.675 -2.938 -1.129 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.405 -3.074 -0.001 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.553 -2.015 0.894 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.017 -4.402 0.206 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.370 -5.564 -0.259 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -1.934 -6.824 -0.070 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -1.286 -7.908 -0.518 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -3.152 -6.958 0.578 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -3.694 -8.169 0.761 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -3.824 -5.834 1.040 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.260 -4.565 0.854 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 0.497 0.573 -0.809 0.00 0.00 -0.322 N ATOM 16 C LIG 1 1.863 0.757 -0.201 0.00 0.00 +0.111 C ATOM 17 C LIG 1 2.419 2.160 -0.609 0.00 0.00 +0.073 C ATOM 18 C LIG 1 2.526 2.294 -2.136 0.00 0.00 +0.022 C ATOM 19 C LIG 1 1.489 1.480 -2.912 0.00 0.00 +0.020 C ATOM 20 C LIG 1 0.221 1.189 -2.124 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 N LIG 1 1.569 3.253 -0.090 0.00 0.00 -0.326 NA ATOM 22 H LIG 1 0.591 3.041 -0.298 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 1.594 3.243 0.931 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 16 24 ATOM 24 C LIG 1 2.841 -0.392 -0.524 0.00 0.00 +0.167 C BRANCH 24 25 ATOM 25 N LIG 1 4.099 -0.276 0.191 0.00 0.00 -0.270 N ATOM 26 N LIG 1 5.167 0.269 -0.418 0.00 0.00 -0.180 NA ATOM 27 C LIG 1 6.127 0.205 0.508 0.00 0.00 +0.134 A ATOM 28 C LIG 1 5.677 -0.384 1.704 0.00 0.00 +0.041 A ATOM 29 C LIG 1 4.358 -0.691 1.466 0.00 0.00 +0.108 A ENDBRANCH 24 25 ENDBRANCH 16 24 ENDBRANCH 2 15 BRANCH 1 30 ATOM 30 C LIG 1 -1.200 0.378 1.580 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -3.008 4.742 0.523 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -2.936 3.340 0.499 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -3.734 2.377 -0.084 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 -3.171 1.232 0.244 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -2.045 1.411 1.004 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -1.890 2.757 1.197 0.00 0.00 +0.166 A ATOM 37 N LIG 1 -0.938 3.385 1.908 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -1.114 4.724 1.864 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -2.082 5.424 1.234 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -3.998 5.465 -0.130 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -4.125 6.386 0.267 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -4.825 4.919 -0.342 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 8