REMARK Name = BDB008818 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.415 -1.367 -1.144 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.029 -1.510 -1.176 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.569 -2.232 -2.193 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.923 -2.259 -2.063 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 2.200 -1.570 -0.972 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -0.096 -2.844 -3.185 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.427 -2.682 -3.066 0.00 0.00 +0.242 A ATOM 8 N LIG 1 1.029 -1.122 -0.378 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -2.098 -1.995 -2.120 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.558 -1.387 -0.450 0.00 0.00 +0.018 A ATOM 11 C LIG 1 4.372 -2.524 -0.276 0.00 0.00 +0.023 A ATOM 12 C LIG 1 5.677 -2.368 0.225 0.00 0.00 +0.021 A ATOM 13 C LIG 1 6.125 -1.087 0.517 0.00 0.00 +0.135 A ATOM 14 O LIG 1 7.402 -1.128 0.988 0.00 0.00 -0.463 OA ATOM 15 C LIG 1 7.778 -2.434 0.996 0.00 0.00 +0.196 A ATOM 16 C LIG 1 5.366 0.066 0.341 0.00 0.00 +0.047 A ATOM 17 C LIG 1 6.757 -3.235 0.537 0.00 0.00 +0.049 A ATOM 18 C LIG 1 4.068 -0.111 -0.158 0.00 0.00 +0.015 A ENDBRANCH 5 10 BRANCH 1 19 ATOM 19 N LIG 1 -2.084 -0.635 -0.174 0.00 0.00 -0.324 N ATOM 20 H LIG 1 -1.564 0.169 0.157 0.00 0.00 +0.148 HD BRANCH 19 22 ATOM 21 C LIG 1 -3.646 0.824 -1.380 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -3.507 -0.332 -0.388 0.00 0.00 +0.072 C BRANCH 22 23 ATOM 23 C LIG 1 -4.133 -0.018 0.980 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -3.740 1.266 1.767 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -5.172 1.258 2.342 0.00 0.00 +0.001 C ATOM 26 C LIG 1 -5.603 0.483 1.079 0.00 0.00 +0.005 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 7 27 ATOM 27 C LIG 1 -2.234 -3.353 -4.145 0.00 0.00 +0.375 C ATOM 28 O LIG 1 -3.448 -3.330 -4.252 0.00 0.00 -0.242 OA BRANCH 27 29 ATOM 29 O LIG 1 -1.423 -4.010 -5.022 0.00 0.00 -0.475 OA ATOM 30 H LIG 1 -0.479 -3.900 -4.758 0.00 0.00 +0.296 HD ENDBRANCH 27 29 ENDBRANCH 7 27 BRANCH 8 31 ATOM 31 C LIG 1 0.921 -0.522 0.947 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 C LIG 1 0.646 0.968 0.952 0.00 0.00 -0.028 A ATOM 33 C LIG 1 0.290 1.561 2.175 0.00 0.00 +0.006 A ATOM 34 C LIG 1 0.004 2.927 2.259 0.00 0.00 +0.013 A ATOM 35 C LIG 1 0.075 3.738 1.121 0.00 0.00 +0.055 A ATOM 36 C LIG 1 0.438 3.154 -0.101 0.00 0.00 +0.013 A ATOM 37 C LIG 1 0.724 1.787 -0.184 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 -0.240 5.214 1.188 0.00 0.00 +0.417 C ATOM 39 F LIG 1 0.767 5.985 0.695 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -0.472 5.664 2.452 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.349 5.538 0.467 0.00 0.00 -0.166 F ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 9