REMARK Name = BDB010866 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.468 -0.340 -0.209 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.130 -0.662 0.011 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.202 -1.510 1.056 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.522 -1.830 1.042 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 -2.039 -1.194 0.001 0.00 0.00 +0.187 A ATOM 6 N LIG 1 0.671 -2.003 1.946 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.920 -1.584 1.707 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -1.093 -0.327 -0.539 0.00 0.00 -0.318 N ATOM 9 N LIG 1 2.349 -0.803 0.701 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 2.943 -2.080 2.654 0.00 0.00 +0.220 A ATOM 11 N LIG 1 2.567 -2.870 3.673 0.00 0.00 -0.269 N ATOM 12 H LIG 1 1.635 -3.187 3.885 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.675 -3.173 4.361 0.00 0.00 +0.440 A ATOM 14 O LIG 1 3.732 -3.877 5.356 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.743 -2.557 3.757 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.216 -1.845 2.631 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 -3.435 -1.376 -0.570 0.00 0.00 +0.330 C ATOM 18 F LIG 1 -4.110 -0.189 -0.500 0.00 0.00 -0.192 F ATOM 19 F LIG 1 -3.319 -1.614 -1.918 0.00 0.00 -0.192 F BRANCH 17 20 ATOM 20 C LIG 1 -4.219 -2.487 0.109 0.00 0.00 +0.028 A ATOM 21 C LIG 1 -5.002 -2.217 1.244 0.00 0.00 +0.010 A ATOM 22 C LIG 1 -5.718 -3.238 1.870 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -5.660 -4.539 1.373 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.884 -4.822 0.250 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -4.166 -3.804 -0.379 0.00 0.00 +0.010 A ENDBRANCH 17 20 ENDBRANCH 5 17 BRANCH 1 26 ATOM 26 N LIG 1 1.912 0.396 -1.296 0.00 0.00 -0.324 N ATOM 27 H LIG 1 1.385 0.231 -2.143 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 3.589 1.950 -2.059 0.00 0.00 +0.028 C ATOM 29 C LIG 1 3.355 0.533 -1.520 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 3.854 -0.488 -2.558 0.00 0.00 +0.009 C ATOM 31 C LIG 1 3.844 -2.001 -2.187 0.00 0.00 +0.005 C ATOM 32 C LIG 1 5.302 -1.841 -1.723 0.00 0.00 +0.001 C ATOM 33 C LIG 1 5.401 -0.634 -2.675 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 -1.357 0.723 -1.510 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 -1.508 2.169 -0.969 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.213 2.747 -0.381 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -0.387 4.192 0.085 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -1.530 4.323 1.096 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -1.708 5.778 1.525 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -2.830 3.768 0.506 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -2.669 2.326 0.024 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 8