REMARK Name = BDB037906 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.444 0.046 0.309 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.847 1.256 0.216 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.506 1.280 0.030 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.315 0.151 -0.046 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.316 -1.095 0.087 0.00 0.00 -0.001 A ATOM 6 C LIG 1 1.710 -1.138 0.257 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.721 0.155 0.806 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.882 0.995 1.548 0.00 0.00 +0.166 A ATOM 9 F LIG 1 6.406 1.865 2.426 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.497 0.965 1.391 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.901 0.070 0.489 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.753 -0.774 -0.240 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.242 -1.594 -1.177 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.143 -0.740 -0.092 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.949 -0.465 0.221 0.00 0.00 +0.277 C ATOM 16 O LIG 1 8.062 0.303 1.029 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.700 0.217 -0.262 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.438 0.955 0.798 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.972 0.887 0.506 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.251 1.576 -0.860 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.011 1.737 -1.744 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.061 0.548 -1.661 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -4.376 -0.540 0.398 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -4.219 -0.993 1.303 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -3.706 -1.017 -0.220 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.762 1.591 1.652 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -6.289 1.539 1.488 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -6.752 0.327 1.896 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -6.854 2.450 2.327 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -4.385 1.006 2.921 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -5.034 0.293 3.091 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 -0.473 -2.383 0.078 0.00 0.00 +0.184 C BRANCH 32 33 ATOM 33 N LIG 1 -1.005 -2.708 -1.228 0.00 0.00 -0.228 N ATOM 34 N LIG 1 -2.284 -3.099 -1.379 0.00 0.00 -0.044 NA ATOM 35 N LIG 1 -2.397 -3.414 -2.664 0.00 0.00 -0.023 NA ATOM 36 N LIG 1 -1.208 -3.222 -3.325 0.00 0.00 -0.117 NA ATOM 37 C LIG 1 -0.353 -2.812 -2.417 0.00 0.00 +0.245 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9