REMARK Name = BDB010132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.235 -1.125 1.240 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.036 -1.431 0.768 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.330 -2.724 0.365 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.610 -2.833 -0.091 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -2.138 -1.644 0.069 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.537 -3.746 0.414 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.724 -3.387 0.920 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -1.219 -0.750 0.580 0.00 0.00 -0.303 N ATOM 9 N LIG 1 2.100 -2.153 1.330 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -3.414 -1.265 -0.227 0.00 0.00 -0.301 N ATOM 11 C LIG 1 -3.873 -1.684 -1.573 0.00 0.00 +0.108 C ATOM 12 C LIG 1 -4.866 -2.839 -1.509 0.00 0.00 +0.019 C ATOM 13 C LIG 1 -6.113 -2.455 -0.713 0.00 0.00 +0.003 C ATOM 14 C LIG 1 -5.810 -1.427 0.377 0.00 0.00 +0.019 C ATOM 15 C LIG 1 -4.372 -1.555 0.866 0.00 0.00 +0.108 C ENDBRANCH 5 10 BRANCH 1 16 ATOM 16 N LIG 1 1.620 0.159 1.610 0.00 0.00 -0.324 N ATOM 17 H LIG 1 1.207 0.857 1.002 0.00 0.00 +0.148 HD BRANCH 16 19 ATOM 18 C LIG 1 3.150 1.667 2.705 0.00 0.00 +0.028 C ATOM 19 C LIG 1 3.049 0.406 1.845 0.00 0.00 +0.072 C BRANCH 19 20 ATOM 20 C LIG 1 3.809 0.531 0.517 0.00 0.00 +0.009 C ATOM 21 C LIG 1 3.487 1.686 -0.475 0.00 0.00 +0.005 C ATOM 22 C LIG 1 4.967 1.625 -0.907 0.00 0.00 +0.001 C ATOM 23 C LIG 1 5.278 1.044 0.489 0.00 0.00 +0.005 C ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 1 16 BRANCH 7 24 ATOM 24 C LIG 1 2.749 -4.486 1.026 0.00 0.00 +0.375 C ATOM 25 O LIG 1 2.603 -5.660 0.726 0.00 0.00 -0.242 OA BRANCH 24 26 ATOM 26 O LIG 1 3.942 -4.066 1.512 0.00 0.00 -0.475 OA ATOM 27 H LIG 1 4.486 -4.879 1.522 0.00 0.00 +0.296 HD ENDBRANCH 24 26 ENDBRANCH 7 24 BRANCH 8 28 ATOM 28 C LIG 1 -1.497 0.638 0.919 0.00 0.00 +0.160 C BRANCH 28 29 ATOM 29 C LIG 1 -0.920 1.634 -0.065 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -0.936 1.414 -1.449 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -0.404 2.362 -2.328 0.00 0.00 +0.013 A ATOM 32 C LIG 1 0.145 3.557 -1.845 0.00 0.00 +0.055 A ATOM 33 C LIG 1 0.126 3.797 -0.464 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -0.405 2.849 0.414 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 0.708 4.588 -2.791 0.00 0.00 +0.417 C ATOM 36 F LIG 1 1.117 4.063 -3.979 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -0.197 5.557 -3.100 0.00 0.00 -0.166 F ATOM 38 F LIG 1 1.792 5.238 -2.280 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 9