REMARK Name = BDB035605 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.241 -0.717 -0.728 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.944 -0.995 -1.416 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.151 -1.269 -2.584 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.038 -0.903 -0.441 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.393 -1.089 -0.646 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.248 -0.945 0.455 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.707 -0.607 1.719 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.324 -0.419 1.910 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.501 -0.578 0.799 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.017 -0.447 0.683 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.975 -0.368 -0.973 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.661 -0.396 -0.463 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.553 -0.691 -1.275 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.796 -0.958 -2.627 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.093 -0.938 -3.150 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.178 -0.648 -2.329 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.160 -0.068 -0.066 0.00 0.00 +0.088 C BRANCH 17 20 ATOM 18 C LIG 1 -6.200 -3.017 -0.294 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.710 -2.379 0.897 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.248 -1.094 1.040 0.00 0.00 +0.140 A ATOM 21 N LIG 1 -4.867 -0.931 2.294 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -5.090 -2.103 2.972 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.593 -2.964 2.120 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.139 1.361 0.540 0.00 0.00 +0.027 C BRANCH 24 25 ATOM 25 C LIG 1 -5.417 2.494 -0.463 0.00 0.00 +0.016 C ATOM 26 C LIG 1 -6.758 2.446 -1.226 0.00 0.00 +0.168 C ATOM 27 O LIG 1 -7.097 3.785 -0.792 0.00 0.00 -0.379 OA ATOM 28 C LIG 1 -6.047 3.741 0.207 0.00 0.00 +0.168 C ATOM 29 C LIG 1 -4.219 2.893 -1.324 0.00 0.00 +0.016 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.752 -0.061 3.256 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.040 1.099 3.219 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.690 0.101 4.228 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.893 -1.011 3.715 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.743 -1.116 0.292 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.407 0.186 0.336 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.912 0.821 -0.291 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.860 0.094 0.079 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.401 1.552 0.003 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.172 1.528 -1.521 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.132 -0.011 -1.447 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.624 -0.814 1.022 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9