REMARK Name = BDB035399 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.007 -0.523 1.229 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.232 -0.700 1.883 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.495 -0.983 3.037 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.286 -0.484 0.884 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.658 -0.543 1.050 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.465 -0.293 -0.068 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.859 0.011 -1.313 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.460 0.066 -1.464 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.688 -0.187 -0.335 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.203 -0.195 -0.176 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.760 -0.519 1.552 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.445 -0.441 1.031 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.287 -0.620 1.814 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.462 -0.891 3.172 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.738 -0.976 3.727 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.863 -0.791 2.928 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.080 -0.325 0.654 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -5.993 0.905 1.056 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -6.154 1.194 -0.417 0.00 0.00 -0.027 C ATOM 20 C LIG 1 -7.491 0.906 -1.068 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -7.743 2.434 -1.019 0.00 0.00 +0.001 C ATOM 22 C LIG 1 -6.213 2.632 -0.875 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.962 0.348 -0.770 0.00 0.00 +0.026 C BRANCH 17 26 ATOM 24 C LIG 1 -4.163 -3.226 -0.437 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -5.450 -2.901 0.110 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -5.888 -1.696 0.587 0.00 0.00 +0.144 A ATOM 27 N LIG 1 -7.124 -1.838 1.021 0.00 0.00 -0.134 NA ATOM 28 N LIG 1 -7.503 -3.142 0.813 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -6.487 -3.769 0.270 0.00 0.00 +0.224 A ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.819 0.400 -2.783 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.131 1.574 -2.737 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.908 -0.542 -3.161 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.695 0.511 -3.816 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.974 -0.328 0.048 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.522 1.016 -0.128 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 6.164 1.615 0.617 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.989 1.016 -0.232 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.399 2.432 -0.739 0.00 0.00 +0.022 C ATOM 39 C LIG 1 9.326 1.728 -1.752 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.416 0.488 -1.631 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.723 0.525 1.001 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 7