REMARK Name = BDB004747 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.396 -0.151 -1.012 0.00 0.00 +0.116 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.055 -0.359 -1.726 0.00 0.00 -0.024 A ATOM 3 C LIG 1 1.134 -0.515 -0.988 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.354 -0.724 -1.634 0.00 0.00 +0.034 A ATOM 5 C LIG 1 2.386 -0.776 -3.034 0.00 0.00 +0.023 A ATOM 6 C LIG 1 1.217 -0.624 -3.779 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.005 -0.418 -3.128 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.588 -0.888 -0.968 0.00 0.00 -0.281 N ATOM 9 H LIG 1 4.390 -0.983 -1.573 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 3.828 -0.834 0.391 0.00 0.00 +0.248 C ATOM 11 O LIG 1 3.036 -0.636 1.301 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 5.258 -1.014 0.756 0.00 0.00 +0.037 A ATOM 13 C LIG 1 6.024 -2.043 0.205 0.00 0.00 +0.016 A ATOM 14 C LIG 1 7.365 -2.178 0.575 0.00 0.00 +0.047 A ATOM 15 C LIG 1 7.952 -1.287 1.482 0.00 0.00 +0.130 A ATOM 16 C LIG 1 7.174 -0.275 2.047 0.00 0.00 +0.047 A ATOM 17 C LIG 1 5.828 -0.142 1.688 0.00 0.00 +0.016 A BRANCH 15 18 ATOM 18 O LIG 1 9.268 -1.533 1.748 0.00 0.00 -0.406 OA BRANCH 18 19 ATOM 19 C LIG 1 10.011 -0.493 2.367 0.00 0.00 +0.575 C ATOM 20 F LIG 1 11.316 -0.852 2.389 0.00 0.00 -0.133 F ATOM 21 F LIG 1 9.913 0.663 1.675 0.00 0.00 -0.133 F ATOM 22 F LIG 1 9.615 -0.298 3.643 0.00 0.00 -0.133 F ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 23 ATOM 23 N LIG 1 -2.133 0.925 -1.720 0.00 0.00 -0.321 N ATOM 24 H LIG 1 -1.727 1.793 -1.343 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.460 1.203 -1.372 0.00 0.00 +0.121 A ATOM 26 N LIG 1 -3.456 1.963 -0.268 0.00 0.00 -0.221 NA ATOM 27 C LIG 1 -3.900 3.210 -0.562 0.00 0.00 +0.223 A ATOM 28 N LIG 1 -4.404 3.981 0.407 0.00 0.00 -0.243 NA ATOM 29 C LIG 1 -5.348 3.395 1.180 0.00 0.00 +0.125 A ATOM 30 C LIG 1 -6.316 2.451 1.091 0.00 0.00 +0.055 A ATOM 31 C LIG 1 -6.853 1.632 0.172 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -6.687 1.095 -1.044 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.790 0.804 -1.996 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -4.462 0.793 -2.167 0.00 0.00 +0.043 A BRANCH 30 35 ATOM 35 C LIG 1 -7.012 2.283 2.428 0.00 0.00 +0.243 C ATOM 36 O LIG 1 -8.178 2.574 2.679 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 -6.194 1.692 3.361 0.00 0.00 -0.325 N ATOM 38 H LIG 1 -5.210 1.656 3.095 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 -6.459 1.755 4.326 0.00 0.00 +0.145 HD ENDBRANCH 30 35 ENDBRANCH 23 25 ENDBRANCH 1 23 BRANCH 1 40 ATOM 40 C LIG 1 -2.219 -1.480 -0.964 0.00 0.00 +0.107 C BRANCH 40 42 ATOM 41 C LIG 1 -1.466 -2.421 1.139 0.00 0.00 +0.101 C ATOM 42 N LIG 1 -1.611 -2.672 -0.293 0.00 0.00 -0.317 NA ATOM 43 H LIG 1 -2.279 -3.429 -0.416 0.00 0.00 +0.122 HD ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 10