REMARK Name = BDB055925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.354 -0.261 -0.141 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.588 0.893 0.055 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.203 0.876 -0.145 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.447 -0.287 -0.568 0.00 0.00 +0.031 A ATOM 5 C LIG 1 0.318 -1.447 -0.726 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.706 -1.432 -0.529 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 4.467 -2.311 -0.356 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 4.701 -1.151 -0.037 0.00 0.00 +0.254 C ATOM 9 N LIG 1 3.744 -0.155 0.080 0.00 0.00 -0.281 N ATOM 10 H LIG 1 4.063 0.763 0.369 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 6.112 -0.754 0.255 0.00 0.00 +0.107 A ATOM 12 C LIG 1 7.158 -1.647 -0.003 0.00 0.00 +0.138 A ATOM 13 F LIG 1 6.936 -2.858 -0.532 0.00 0.00 -0.205 F ATOM 14 C LIG 1 8.488 -1.308 0.268 0.00 0.00 +0.039 A ATOM 15 C LIG 1 8.798 -0.063 0.806 0.00 0.00 +0.006 A ATOM 16 C LIG 1 7.774 0.841 1.068 0.00 0.00 +0.039 A ATOM 17 C LIG 1 6.449 0.492 0.793 0.00 0.00 +0.138 A ATOM 18 F LIG 1 5.503 1.406 1.065 0.00 0.00 -0.205 F ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 N LIG 1 -1.851 -0.347 -0.720 0.00 0.00 -0.314 N ATOM 20 H LIG 1 -2.139 -1.220 -1.162 0.00 0.00 +0.152 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.721 0.695 -1.149 0.00 0.00 +0.044 A ATOM 22 C LIG 1 -4.053 0.792 -0.678 0.00 0.00 +0.046 A ATOM 23 C LIG 1 -4.854 1.736 -1.345 0.00 0.00 +0.143 A ATOM 24 N LIG 1 -6.206 1.843 -1.045 0.00 0.00 -0.306 N ATOM 25 H LIG 1 -6.738 2.507 -1.588 0.00 0.00 +0.170 HD ATOM 26 C LIG 1 -6.872 1.069 -0.142 0.00 0.00 +0.258 A ATOM 27 C LIG 1 -6.062 0.116 0.656 0.00 0.00 +0.047 A ATOM 28 C LIG 1 -6.713 -0.619 1.661 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -5.986 -1.465 2.488 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.611 -1.559 2.322 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -3.966 -0.827 1.314 0.00 0.00 +0.009 A ATOM 32 O LIG 1 -8.084 1.171 0.017 0.00 0.00 -0.267 OA ATOM 33 N LIG 1 -4.447 2.563 -2.333 0.00 0.00 -0.237 NA ATOM 34 C LIG 1 -3.173 2.449 -2.732 0.00 0.00 +0.115 A ATOM 35 C LIG 1 -4.673 0.007 0.427 0.00 0.00 -0.000 A ATOM 36 C LIG 1 -2.295 1.531 -2.196 0.00 0.00 +0.043 A ENDBRANCH 19 21 ENDBRANCH 4 19 TORSDOF 4