REMARK Name = BDB028120 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.344 0.612 -0.280 0.00 0.00 +0.062 C ATOM 2 C LIG 1 -2.673 -0.754 -0.109 0.00 0.00 -0.039 A ATOM 3 C LIG 1 -1.545 -0.932 0.707 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -0.925 -2.184 0.818 0.00 0.00 -0.027 A ATOM 5 C LIG 1 -1.482 -3.304 0.165 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -2.624 -3.136 -0.624 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.802 -4.662 0.221 0.00 0.00 +0.054 C ATOM 8 C LIG 1 0.345 -4.720 1.242 0.00 0.00 +0.113 C ATOM 9 N LIG 1 1.106 -3.478 1.184 0.00 0.00 -0.293 N ATOM 10 C LIG 1 2.119 -3.409 0.225 0.00 0.00 +0.253 C ATOM 11 O LIG 1 2.672 -4.388 -0.268 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 2.505 -2.100 -0.294 0.00 0.00 +0.113 A ATOM 13 C LIG 1 1.815 -1.576 -1.378 0.00 0.00 +0.174 A ATOM 14 C LIG 1 2.156 -0.322 -1.872 0.00 0.00 +0.165 A ATOM 15 C LIG 1 3.198 0.429 -1.310 0.00 0.00 +0.029 A ATOM 16 C LIG 1 3.920 -0.154 -0.262 0.00 0.00 +0.165 A ATOM 17 F LIG 1 4.970 0.485 0.272 0.00 0.00 -0.202 F ATOM 18 C LIG 1 3.518 1.778 -1.906 0.00 0.00 +0.045 C ATOM 19 C LIG 1 4.084 2.873 -0.993 0.00 0.00 +0.032 C ATOM 20 C LIG 1 3.303 3.143 0.264 0.00 0.00 -0.027 C ATOM 21 C LIG 1 2.244 3.958 0.396 0.00 0.00 +0.009 C ATOM 22 C LIG 1 1.528 4.693 -0.705 0.00 0.00 +0.259 C ATOM 23 O LIG 1 0.182 4.979 -0.333 0.00 0.00 -0.458 OA ATOM 24 C LIG 1 -0.652 3.887 -0.347 0.00 0.00 +0.318 A ATOM 25 N LIG 1 -1.673 3.961 0.515 0.00 0.00 -0.203 NA ATOM 26 C LIG 1 -2.514 2.909 0.539 0.00 0.00 +0.122 A ATOM 27 N LIG 1 -0.432 2.880 -1.203 0.00 0.00 -0.203 NA ATOM 28 C LIG 1 -1.317 1.862 -1.147 0.00 0.00 +0.122 A ATOM 29 F LIG 1 1.466 0.171 -2.912 0.00 0.00 -0.202 F ATOM 30 F LIG 1 0.813 -2.257 -1.952 0.00 0.00 -0.202 F ATOM 31 C LIG 1 3.571 -1.403 0.254 0.00 0.00 +0.174 A ATOM 32 F LIG 1 4.259 -1.907 1.288 0.00 0.00 -0.202 F ATOM 33 C LIG 1 0.334 -2.326 1.642 0.00 0.00 +0.143 C ATOM 34 C LIG 1 -3.208 -1.875 -0.764 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -2.394 1.798 -0.273 0.00 0.00 -0.003 A ENDROOT BRANCH 1 36 ATOM 36 C LIG 1 -4.607 0.705 0.604 0.00 0.00 +0.133 C BRANCH 36 38 ATOM 37 O LIG 1 -3.372 0.802 2.713 0.00 0.00 -0.251 OA ATOM 38 C LIG 1 -4.360 0.488 2.074 0.00 0.00 +0.306 C BRANCH 38 39 ATOM 39 O LIG 1 -5.424 -0.065 2.689 0.00 0.00 -0.481 OA ATOM 40 H LIG 1 -5.152 -0.141 3.628 0.00 0.00 +0.295 HD ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 1 36 TORSDOF 3