REMARK Name = BDB026314 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.046 1.088 -0.665 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.886 -0.130 -1.342 0.00 0.00 +0.134 A ATOM 3 F LIG 1 1.913 -0.681 -2.009 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.334 -0.807 -1.372 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.452 -0.280 -0.724 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.314 0.955 -0.044 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.084 1.619 -0.014 0.00 0.00 +0.038 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.702 -0.938 -0.686 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.805 -1.921 0.422 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.236 -3.349 -0.015 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -2.055 -4.152 -0.578 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.361 -3.431 -0.979 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.604 -3.806 -0.298 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.543 -2.190 -1.777 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.133 -2.545 -3.147 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.228 -1.393 -1.987 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 17 C LIG 1 4.636 1.560 -0.340 0.00 0.00 +0.218 A ATOM 18 N LIG 1 3.418 0.998 -0.391 0.00 0.00 -0.214 NA ATOM 19 C LIG 1 2.344 1.781 -0.625 0.00 0.00 +0.079 A ATOM 20 C LIG 1 2.464 3.143 -0.793 0.00 0.00 +0.048 A ATOM 21 C LIG 1 3.737 3.643 -0.714 0.00 0.00 +0.116 A ATOM 22 N LIG 1 4.821 2.881 -0.492 0.00 0.00 -0.223 NA BRANCH 17 29 ATOM 23 C LIG 1 6.641 -2.927 -0.623 0.00 0.00 +0.039 C ATOM 24 C LIG 1 6.769 -1.503 -0.099 0.00 0.00 +0.133 C ATOM 25 O LIG 1 7.981 -0.947 -0.645 0.00 0.00 -0.371 OA ATOM 26 C LIG 1 8.185 0.389 -0.146 0.00 0.00 +0.133 C ATOM 27 C LIG 1 9.504 0.895 -0.715 0.00 0.00 +0.039 C ATOM 28 C LIG 1 7.019 1.317 -0.545 0.00 0.00 +0.139 C ATOM 29 N LIG 1 5.743 0.744 -0.087 0.00 0.00 -0.295 N ATOM 30 C LIG 1 5.540 -0.657 -0.493 0.00 0.00 +0.139 C ENDBRANCH 17 29 ENDBRANCH 1 19 BRANCH 6 31 ATOM 31 N LIG 1 -2.491 1.449 0.559 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.279 0.821 0.413 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.669 2.614 1.263 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -1.809 3.432 1.560 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -4.075 2.801 1.745 0.00 0.00 +0.062 A ATOM 36 C LIG 1 -4.378 3.128 3.139 0.00 0.00 +0.036 A ATOM 37 C LIG 1 -5.664 3.238 3.528 0.00 0.00 +0.080 A ATOM 38 C LIG 1 -6.768 3.076 2.552 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -7.940 3.165 2.891 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -6.385 2.823 1.258 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -7.141 2.737 0.589 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -5.079 2.690 0.857 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -3.251 3.326 4.114 0.00 0.00 +0.372 C ATOM 44 F LIG 1 -3.680 3.130 5.395 0.00 0.00 -0.204 F ATOM 45 F LIG 1 -2.799 4.607 4.073 0.00 0.00 -0.204 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 6