REMARK Name = BDB008814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.116 -1.431 0.191 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.789 -1.653 -0.169 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.473 -2.670 -1.052 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.869 -2.738 -1.280 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 1.416 -1.782 -0.553 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -1.369 -3.496 -1.608 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.619 -3.242 -1.201 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.436 -1.107 0.161 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -3.018 -2.272 -0.345 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.860 -1.547 -0.482 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.713 -2.623 -0.229 0.00 0.00 +0.051 A ATOM 12 C LIG 1 5.096 -2.433 -0.159 0.00 0.00 +0.145 A ATOM 13 F LIG 1 5.842 -3.513 0.122 0.00 0.00 -0.204 F ATOM 14 C LIG 1 5.689 -1.169 -0.340 0.00 0.00 +0.065 A ATOM 15 C LIG 1 4.813 -0.107 -0.627 0.00 0.00 +0.027 A ATOM 16 C LIG 1 3.424 -0.289 -0.702 0.00 0.00 +0.013 A BRANCH 14 17 ATOM 17 N LIG 1 7.074 -0.911 -0.295 0.00 0.00 -0.334 N ATOM 18 C LIG 1 7.458 0.058 0.737 0.00 0.00 +0.129 C ATOM 19 C LIG 1 7.978 -2.058 -0.402 0.00 0.00 +0.129 C ENDBRANCH 14 17 ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 -2.507 -0.418 1.054 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -1.937 0.411 0.936 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 -4.726 -1.164 1.911 0.00 0.00 +0.028 C ATOM 23 C LIG 1 -3.922 -0.059 1.232 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 -4.593 0.416 -0.057 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -3.980 1.676 -0.732 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -5.417 2.087 -1.106 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -5.892 1.256 0.102 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 -3.689 -4.134 -1.774 0.00 0.00 +0.375 C ATOM 29 O LIG 1 -3.534 -5.067 -2.544 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 -4.938 -3.815 -1.355 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 -5.506 -4.474 -1.803 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 0.673 -0.113 1.200 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 0.344 1.311 0.798 0.00 0.00 -0.028 A ATOM 34 C LIG 1 0.162 1.727 -0.529 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -0.152 3.057 -0.826 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.291 4.005 0.196 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -0.087 3.599 1.521 0.00 0.00 +0.013 A ATOM 38 C LIG 1 0.227 2.270 1.817 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -0.613 5.444 -0.129 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -1.288 6.077 0.870 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.385 5.579 -1.243 0.00 0.00 -0.166 F ATOM 42 F LIG 1 0.506 6.185 -0.354 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 10