REMARK Name = BDB035442 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.045 0.703 -0.909 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.674 -0.292 -0.238 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.323 -1.107 0.596 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.052 -0.238 -0.744 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.141 -1.003 -0.372 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.365 -0.762 -1.012 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.452 0.255 -1.993 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.332 1.026 -2.361 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.129 0.755 -1.714 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.788 1.391 -1.887 0.00 0.00 +0.150 C ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -3.424 2.260 -1.426 0.00 0.00 +0.029 A ATOM 12 C LIG 1 -4.140 1.603 -0.423 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.546 0.702 0.487 0.00 0.00 -0.030 A ATOM 14 C LIG 1 -2.171 0.448 0.305 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -1.418 1.027 -0.722 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -2.066 1.936 -1.570 0.00 0.00 +0.046 A BRANCH 13 17 ATOM 17 C LIG 1 -4.416 -0.007 1.640 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -3.696 -0.472 2.952 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -4.812 0.172 3.798 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -5.835 -0.774 4.407 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.248 0.964 2.551 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -5.300 -1.156 0.987 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -4.867 -2.299 0.371 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -3.517 -2.743 0.155 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -5.989 -2.952 -0.039 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -7.050 -2.258 0.296 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -6.617 -1.120 0.933 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 13 17 BRANCH 11 28 ATOM 28 N LIG 1 -4.003 3.107 -2.372 0.00 0.00 -0.344 N ATOM 29 H LIG 1 -3.349 3.792 -2.740 0.00 0.00 +0.146 HD BRANCH 28 31 ATOM 30 C LIG 1 -6.372 2.714 -2.864 0.00 0.00 +0.024 C ATOM 31 C LIG 1 -5.353 3.637 -2.215 0.00 0.00 +0.098 C ENDBRANCH 28 31 ENDBRANCH 11 28 ENDBRANCH 1 15 BRANCH 8 32 ATOM 32 C LIG 1 3.422 2.105 -3.406 0.00 0.00 +0.418 C ATOM 33 F LIG 1 3.118 3.333 -2.904 0.00 0.00 -0.166 F ATOM 34 F LIG 1 4.653 2.221 -3.972 0.00 0.00 -0.166 F ATOM 35 F LIG 1 2.552 1.900 -4.433 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.593 -1.558 -0.622 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 6.158 -1.038 0.622 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 6.212 -0.022 0.560 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 7.430 -1.695 0.990 0.00 0.00 +0.017 C ATOM 40 C LIG 1 7.985 -0.944 2.236 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.781 -0.023 1.291 0.00 0.00 +0.004 C ATOM 42 C LIG 1 8.607 -1.081 0.183 0.00 0.00 +0.022 C ATOM 43 C LIG 1 7.355 -3.201 1.143 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 9