REMARK Name = BDB030493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.394 0.110 -0.549 0.00 0.00 +0.159 A ATOM 2 C LIG 1 -0.889 -0.120 -0.059 0.00 0.00 +0.203 A ATOM 3 F LIG 1 -1.119 -1.209 0.698 0.00 0.00 -0.198 F ATOM 4 C LIG 1 -1.901 0.784 -0.382 0.00 0.00 +0.163 A ATOM 5 N LIG 1 -1.628 1.841 -1.179 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 -0.366 1.977 -1.612 0.00 0.00 +0.225 A ATOM 7 N LIG 1 0.660 1.164 -1.338 0.00 0.00 -0.218 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 1.402 -0.835 -0.279 0.00 0.00 -0.326 N ATOM 9 H LIG 1 1.303 -1.206 0.660 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 2.773 -0.497 -0.667 0.00 0.00 +0.109 C BRANCH 10 14 ATOM 11 N LIG 1 5.784 -1.012 0.461 0.00 0.00 -0.292 NA ATOM 12 C LIG 1 4.846 -1.196 1.587 0.00 0.00 +0.116 C ATOM 13 C LIG 1 3.738 -0.116 1.671 0.00 0.00 +0.133 C ATOM 14 C LIG 1 3.433 0.509 0.302 0.00 0.00 +0.037 C ATOM 15 C LIG 1 4.733 1.083 -0.308 0.00 0.00 +0.023 C ATOM 16 C LIG 1 6.017 0.408 0.197 0.00 0.00 +0.085 C BRANCH 13 17 ATOM 17 O LIG 1 4.154 0.937 2.555 0.00 0.00 -0.390 OA ATOM 18 H LIG 1 4.231 0.559 3.448 0.00 0.00 +0.210 HD ENDBRANCH 13 17 BRANCH 11 19 ATOM 19 C LIG 1 7.025 -1.773 0.695 0.00 0.00 +0.180 C BRANCH 19 23 ATOM 20 N LIG 1 8.974 -1.126 -0.644 0.00 0.00 -0.328 N ATOM 21 H LIG 1 9.260 -0.512 0.104 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 9.537 -1.177 -1.483 0.00 0.00 +0.145 HD ATOM 23 C LIG 1 7.851 -1.904 -0.588 0.00 0.00 +0.225 C ATOM 24 O LIG 1 7.561 -2.643 -1.523 0.00 0.00 -0.275 OA ENDBRANCH 19 23 ENDBRANCH 11 19 ENDBRANCH 10 14 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 25 ATOM 25 N LIG 1 -3.223 0.617 0.093 0.00 0.00 -0.304 N BRANCH 25 26 ATOM 26 C LIG 1 -3.490 -0.087 1.363 0.00 0.00 +0.075 C ATOM 27 C LIG 1 -2.855 0.359 2.657 0.00 0.00 +0.024 C ATOM 28 C LIG 1 -4.333 0.490 2.472 0.00 0.00 +0.024 C ENDBRANCH 25 26 BRANCH 25 29 ATOM 29 C LIG 1 -4.225 1.554 -0.438 0.00 0.00 +0.162 C BRANCH 29 30 ATOM 30 C LIG 1 -5.611 0.933 -0.541 0.00 0.00 +0.059 A ATOM 31 N LIG 1 -6.633 1.552 0.109 0.00 0.00 -0.258 NA ATOM 32 C LIG 1 -7.867 1.007 0.003 0.00 0.00 +0.123 A ATOM 33 C LIG 1 -8.150 -0.136 -0.727 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -7.091 -0.750 -1.401 0.00 0.00 +0.016 A ATOM 35 C LIG 1 -5.810 -0.215 -1.308 0.00 0.00 +0.025 A BRANCH 33 36 ATOM 36 C LIG 1 -9.552 -0.651 -0.812 0.00 0.00 +0.419 C ATOM 37 F LIG 1 -9.617 -2.011 -0.863 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -10.202 -0.205 -1.922 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -10.328 -0.284 0.247 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 4 25 TORSDOF 11