REMARK Name = BDB060058 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.065 2.492 -1.885 0.00 0.00 -0.311 N ATOM 2 H LIG 1 0.344 1.697 -2.364 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 -1.403 2.474 -1.564 0.00 0.00 +0.247 C ATOM 4 O LIG 1 -1.947 3.365 -0.918 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -2.207 1.308 -2.028 0.00 0.00 +0.072 A ATOM 6 C LIG 1 -1.644 0.185 -2.633 0.00 0.00 +0.135 A ATOM 7 F LIG 1 -0.321 0.096 -2.841 0.00 0.00 -0.205 F ATOM 8 C LIG 1 -2.440 -0.884 -3.038 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -3.819 -0.843 -2.834 0.00 0.00 +0.007 A ATOM 10 C LIG 1 -4.413 0.267 -2.217 0.00 0.00 -0.041 A ATOM 11 C LIG 1 -3.598 1.343 -1.830 0.00 0.00 +0.020 A BRANCH 10 12 ATOM 12 C LIG 1 -5.909 0.320 -1.997 0.00 0.00 +0.093 C BRANCH 12 13 ATOM 13 C LIG 1 -6.433 -0.856 -1.182 0.00 0.00 +0.074 A ATOM 14 C LIG 1 -6.304 -0.856 0.298 0.00 0.00 +0.011 A ATOM 15 C LIG 1 -6.784 -1.974 0.978 0.00 0.00 +0.050 A ATOM 16 C LIG 1 -6.698 -2.056 2.373 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -6.127 -1.009 3.094 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -5.646 0.114 2.422 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -7.389 -3.076 0.212 0.00 0.00 +0.272 A ATOM 20 O LIG 1 -7.824 -4.079 0.767 0.00 0.00 -0.266 OA ATOM 21 N LIG 1 -7.438 -2.910 -1.150 0.00 0.00 -0.242 N ATOM 22 H LIG 1 -7.856 -3.659 -1.694 0.00 0.00 +0.192 HD ATOM 23 C LIG 1 -5.734 0.194 1.028 0.00 0.00 +0.010 A ATOM 24 N LIG 1 -6.973 -1.838 -1.845 0.00 0.00 -0.175 NA ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 3 5 BRANCH 1 25 ATOM 25 C LIG 1 0.828 3.534 -1.421 0.00 0.00 +0.104 C BRANCH 25 26 ATOM 26 C LIG 1 1.309 3.300 0.011 0.00 0.00 +0.019 C BRANCH 26 27 ATOM 27 C LIG 1 2.150 2.027 0.147 0.00 0.00 +0.002 C BRANCH 27 28 ATOM 28 C LIG 1 2.682 1.866 1.575 0.00 0.00 +0.009 C BRANCH 28 29 ATOM 29 C LIG 1 3.499 0.586 1.752 0.00 0.00 +0.096 C BRANCH 29 32 ATOM 30 N LIG 1 5.510 -0.583 1.173 0.00 0.00 -0.284 N ATOM 31 H LIG 1 5.032 -1.359 1.623 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 4.874 0.640 1.099 0.00 0.00 +0.217 C ATOM 33 O LIG 1 5.327 1.665 0.604 0.00 0.00 -0.275 OA BRANCH 30 35 ATOM 34 C LIG 1 7.176 -2.277 0.906 0.00 0.00 +0.046 A ATOM 35 C LIG 1 6.773 -0.946 0.662 0.00 0.00 +0.054 A ATOM 36 C LIG 1 7.602 -0.093 -0.066 0.00 0.00 +0.025 A ATOM 37 C LIG 1 8.839 -0.548 -0.528 0.00 0.00 +0.002 A ATOM 38 C LIG 1 9.257 -1.849 -0.255 0.00 0.00 +0.002 A ATOM 39 C LIG 1 8.436 -2.707 0.478 0.00 0.00 +0.024 A BRANCH 34 40 ATOM 40 N LIG 1 6.408 -3.092 1.784 0.00 0.00 -0.357 N ATOM 41 H LIG 1 6.622 -4.077 1.639 0.00 0.00 +0.142 HD ATOM 42 H LIG 1 6.651 -2.849 2.745 0.00 0.00 +0.142 HD ENDBRANCH 34 40 ENDBRANCH 30 35 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 11