REMARK Name = BDB013978 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.836 -0.609 -0.617 0.00 0.00 +0.160 C ATOM 2 C LIG 1 0.616 0.266 -0.245 0.00 0.00 +0.240 C ATOM 3 O LIG 1 0.797 1.367 0.288 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.656 -0.226 -0.554 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.862 -1.534 -1.097 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -0.189 -2.651 -0.559 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -0.375 -3.920 -1.131 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -1.229 -4.087 -2.219 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.908 -2.992 -2.741 0.00 0.00 +0.002 A ATOM 10 C LIG 1 0.692 -2.511 0.655 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -1.729 -1.725 -2.182 0.00 0.00 +0.024 A ATOM 12 C LIG 1 1.995 -1.789 0.340 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.446 0.917 -1.700 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.036 0.234 -0.569 0.00 0.00 -0.303 N ATOM 15 H LIG 1 3.161 0.734 0.304 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 2.992 0.697 -2.821 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 4.524 1.991 -1.427 0.00 0.00 +0.137 C ATOM 18 C LIG 1 3.845 3.259 -0.917 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 6.216 1.262 -3.012 0.00 0.00 +0.101 C ATOM 20 N LIG 1 5.270 2.316 -2.663 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 4.581 2.385 -3.418 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -1.810 0.667 -0.372 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 -2.274 0.795 1.077 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -2.048 1.981 1.851 0.00 0.00 +0.009 A ATOM 25 C LIG 1 -2.522 1.989 3.185 0.00 0.00 +0.072 A ATOM 26 C LIG 1 -2.335 3.114 3.978 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -1.691 4.256 3.504 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -1.219 4.276 2.204 0.00 0.00 +0.001 A ATOM 29 N LIG 1 -3.161 0.955 3.742 0.00 0.00 -0.251 NA ATOM 30 C LIG 1 -3.375 -0.140 2.986 0.00 0.00 +0.157 A ATOM 31 C LIG 1 -1.396 3.155 1.388 0.00 0.00 +0.010 A ATOM 32 C LIG 1 -2.979 -0.274 1.663 0.00 0.00 +0.144 A BRANCH 32 33 ATOM 33 O LIG 1 -3.231 -1.371 0.884 0.00 0.00 -0.481 OA BRANCH 33 34 ATOM 34 C LIG 1 -4.213 -2.301 1.360 0.00 0.00 +0.342 C BRANCH 34 35 ATOM 35 C LIG 1 -4.481 -3.397 0.338 0.00 0.00 +0.424 C ATOM 36 F LIG 1 -3.416 -4.211 0.184 0.00 0.00 -0.167 F ATOM 37 F LIG 1 -5.514 -4.171 0.753 0.00 0.00 -0.167 F ATOM 38 F LIG 1 -4.819 -2.896 -0.870 0.00 0.00 -0.167 F ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8