REMARK Name = BDB035343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.469 -0.369 0.825 0.00 0.00 +0.241 C ATOM 2 N LIG 1 -0.017 0.923 0.539 0.00 0.00 -0.268 N ATOM 3 C LIG 1 1.133 1.228 -0.164 0.00 0.00 +0.056 A ATOM 4 C LIG 1 1.372 2.650 -0.139 0.00 0.00 -0.018 A ATOM 5 C LIG 1 2.406 3.205 -0.778 0.00 0.00 +0.075 A ATOM 6 C LIG 1 3.356 2.327 -1.521 0.00 0.00 +0.252 A ATOM 7 N LIG 1 3.075 0.961 -1.505 0.00 0.00 -0.309 N ATOM 8 O LIG 1 4.316 2.845 -2.087 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 0.325 3.303 0.696 0.00 0.00 +0.056 C ATOM 10 C LIG 1 1.976 0.432 -0.831 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -0.674 2.173 0.948 0.00 0.00 +0.118 C ATOM 12 O LIG 1 0.242 -1.363 0.653 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 13 ATOM 13 C LIG 1 -1.870 -0.498 1.526 0.00 0.00 +0.165 C BRANCH 13 15 ATOM 14 C LIG 1 -3.257 -0.043 -0.506 0.00 0.00 +0.230 C ATOM 15 N LIG 1 -2.944 0.220 0.820 0.00 0.00 -0.302 N ATOM 16 H LIG 1 -3.701 0.571 1.391 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 -2.533 -0.693 -1.249 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 -4.585 0.609 -0.958 0.00 0.00 +0.137 C ATOM 19 C LIG 1 -5.046 0.078 -2.314 0.00 0.00 +0.034 C BRANCH 18 21 ATOM 20 C LIG 1 -3.655 2.662 -1.946 0.00 0.00 +0.101 C ATOM 21 N LIG 1 -4.484 2.088 -0.890 0.00 0.00 -0.309 NA ATOM 22 H LIG 1 -4.089 2.351 0.010 0.00 0.00 +0.122 HD ENDBRANCH 18 21 ENDBRANCH 14 18 ENDBRANCH 13 15 BRANCH 13 23 ATOM 23 C LIG 1 -2.292 -1.938 2.002 0.00 0.00 -0.011 C ATOM 24 C LIG 1 -3.651 -1.863 2.743 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -1.267 -2.485 3.022 0.00 0.00 +0.013 C ATOM 26 C LIG 1 -2.442 -2.957 0.858 0.00 0.00 +0.013 C ENDBRANCH 13 23 ENDBRANCH 1 13 BRANCH 7 27 ATOM 27 C LIG 1 3.981 0.044 -2.198 0.00 0.00 +0.163 C BRANCH 27 28 ATOM 28 C LIG 1 4.965 -0.613 -1.254 0.00 0.00 +0.014 A ATOM 29 C LIG 1 4.771 -1.916 -0.776 0.00 0.00 +0.124 A ATOM 30 C LIG 1 5.664 -2.496 0.120 0.00 0.00 +0.084 A ATOM 31 C LIG 1 6.766 -1.763 0.545 0.00 0.00 +0.127 A ATOM 32 F LIG 1 7.630 -2.315 1.407 0.00 0.00 -0.205 F ATOM 33 C LIG 1 6.987 -0.468 0.092 0.00 0.00 +0.039 A ATOM 34 C LIG 1 6.086 0.108 -0.805 0.00 0.00 +0.012 A BRANCH 29 35 ATOM 35 O LIG 1 3.683 -2.621 -1.208 0.00 0.00 -0.506 OA ATOM 36 H LIG 1 3.553 -3.393 -0.632 0.00 0.00 +0.292 HD ENDBRANCH 29 35 ENDBRANCH 27 28 ENDBRANCH 7 27 TORSDOF 8