REMARK Name = BDB010193 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.077 -1.202 -0.263 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.754 -1.069 -0.681 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.145 -2.098 -0.474 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.376 -1.797 -0.969 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.280 -0.592 -1.478 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -0.158 -3.256 0.128 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.445 -3.323 0.489 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.015 -0.117 -1.356 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -2.396 -2.373 0.316 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.258 0.093 -2.129 0.00 0.00 -0.295 N ATOM 11 C LIG 1 3.457 -0.627 -2.596 0.00 0.00 +0.077 C ATOM 12 C LIG 1 4.338 -1.061 -1.406 0.00 0.00 +0.030 C ATOM 13 C LIG 1 4.697 0.114 -0.469 0.00 0.00 +0.022 C ATOM 14 C LIG 1 3.533 1.117 -0.300 0.00 0.00 +0.030 C ATOM 15 C LIG 1 4.152 0.469 -3.424 0.00 0.00 +0.024 C ATOM 16 C LIG 1 3.728 1.787 -2.758 0.00 0.00 +0.024 C ATOM 17 C LIG 1 2.781 1.366 -1.619 0.00 0.00 +0.077 C BRANCH 13 18 ATOM 18 C LIG 1 5.226 -0.347 0.878 0.00 0.00 -0.044 A ATOM 19 C LIG 1 6.496 0.061 1.313 0.00 0.00 +0.004 A ATOM 20 C LIG 1 6.990 -0.348 2.553 0.00 0.00 +0.000 A ATOM 21 C LIG 1 6.222 -1.169 3.376 0.00 0.00 +0.000 A ATOM 22 C LIG 1 4.958 -1.580 2.959 0.00 0.00 +0.000 A ATOM 23 C LIG 1 4.462 -1.170 1.720 0.00 0.00 +0.004 A ENDBRANCH 13 18 ENDBRANCH 5 10 BRANCH 1 24 ATOM 24 N LIG 1 -3.015 -0.197 -0.424 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.615 0.715 -0.233 0.00 0.00 +0.148 HD BRANCH 24 27 ATOM 26 C LIG 1 -4.438 -0.425 1.604 0.00 0.00 +0.028 C ATOM 27 C LIG 1 -4.389 -0.303 0.084 0.00 0.00 +0.072 C BRANCH 27 28 ATOM 28 C LIG 1 -5.232 -1.335 -0.674 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -5.383 -2.817 -0.221 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -6.831 -2.755 -0.749 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -6.777 -1.235 -0.501 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 7 32 ATOM 32 C LIG 1 -1.858 -4.596 1.182 0.00 0.00 +0.375 C ATOM 33 O LIG 1 -1.163 -5.578 1.389 0.00 0.00 -0.242 OA BRANCH 32 34 ATOM 34 O LIG 1 -3.143 -4.591 1.606 0.00 0.00 -0.475 OA ATOM 35 H LIG 1 -3.251 -5.470 2.024 0.00 0.00 +0.296 HD ENDBRANCH 32 34 ENDBRANCH 7 32 BRANCH 8 36 ATOM 36 C LIG 1 -0.553 1.063 -2.018 0.00 0.00 +0.160 C BRANCH 36 37 ATOM 37 C LIG 1 -0.870 2.220 -1.089 0.00 0.00 -0.028 A ATOM 38 C LIG 1 -0.329 2.356 0.198 0.00 0.00 +0.006 A ATOM 39 C LIG 1 -0.663 3.448 1.005 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -1.542 4.435 0.542 0.00 0.00 +0.055 A ATOM 41 C LIG 1 -2.072 4.313 -0.750 0.00 0.00 +0.013 A ATOM 42 C LIG 1 -1.737 3.221 -1.555 0.00 0.00 +0.006 A BRANCH 40 43 ATOM 43 C LIG 1 -1.908 5.624 1.398 0.00 0.00 +0.417 C ATOM 44 F LIG 1 -1.433 5.545 2.672 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.430 6.793 0.892 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -3.255 5.788 1.512 0.00 0.00 -0.166 F ENDBRANCH 40 43 ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 10