REMARK Name = BDB035365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.354 0.892 -0.196 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.325 -0.135 0.442 0.00 0.00 +0.253 C ATOM 3 O LIG 1 -0.036 -1.252 0.762 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.677 0.370 0.720 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.734 -0.284 1.326 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.936 0.420 1.480 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.030 1.755 1.014 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.943 2.408 0.400 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.764 1.682 0.261 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.457 2.089 -0.344 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.400 2.121 -1.631 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -2.133 2.050 -1.190 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -1.682 0.892 -0.660 0.00 0.00 +0.130 A ATOM 14 C LIG 1 -2.495 -0.233 -0.573 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -3.828 -0.200 -1.013 0.00 0.00 -0.027 A ATOM 16 C LIG 1 -4.258 1.029 -1.540 0.00 0.00 +0.048 A BRANCH 15 17 ATOM 17 C LIG 1 -4.816 -1.456 -0.914 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -5.429 -1.944 -2.279 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -5.323 -3.397 -1.762 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -4.923 -4.449 -2.778 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -4.212 -2.902 -0.807 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -5.918 -1.183 0.199 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -5.723 -0.965 1.537 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -4.483 -0.922 2.261 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -6.961 -0.769 2.069 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -7.866 -0.862 1.124 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -7.210 -1.117 -0.056 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 15 17 BRANCH 11 28 ATOM 28 N LIG 1 -3.915 3.323 -2.142 0.00 0.00 -0.329 N ATOM 29 H LIG 1 -4.398 3.128 -3.015 0.00 0.00 +0.147 HD BRANCH 28 31 ATOM 30 C LIG 1 -2.803 5.174 -0.964 0.00 0.00 +0.024 C ATOM 31 C LIG 1 -2.974 4.430 -2.279 0.00 0.00 +0.099 C ENDBRANCH 28 31 ENDBRANCH 11 28 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 3.051 3.822 -0.104 0.00 0.00 +0.418 C ATOM 33 F LIG 1 4.223 4.433 0.216 0.00 0.00 -0.166 F ATOM 34 F LIG 1 2.942 3.896 -1.458 0.00 0.00 -0.166 F ATOM 35 F LIG 1 2.065 4.621 0.391 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.138 -0.243 2.122 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 6.198 -0.439 1.133 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 5.790 -0.861 0.298 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 7.358 -1.175 1.678 0.00 0.00 +0.017 C ATOM 40 C LIG 1 8.326 -1.439 0.487 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.628 -2.794 0.257 0.00 0.00 +0.004 C ATOM 42 C LIG 1 7.072 -2.702 1.692 0.00 0.00 +0.022 C ATOM 43 C LIG 1 8.010 -0.541 2.891 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 9