REMARK Name = BDB004764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.184 -0.592 2.600 0.00 0.00 +0.099 C ATOM 2 C LIG 1 2.242 -0.214 3.642 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -0.372 -3.834 1.292 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -0.082 -2.492 1.535 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.957 -2.092 2.410 0.00 0.00 -0.026 A ATOM 6 C LIG 1 1.693 -3.087 3.064 0.00 0.00 +0.005 A ATOM 7 C LIG 1 1.407 -4.434 2.843 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.381 -4.802 1.969 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 -2.259 -3.725 -0.429 0.00 0.00 +0.248 C ATOM 10 N LIG 1 -1.386 -4.311 0.442 0.00 0.00 -0.282 N ATOM 11 H LIG 1 -1.571 -5.307 0.494 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 -3.144 -4.414 -0.941 0.00 0.00 -0.270 OA BRANCH 9 18 ATOM 13 C LIG 1 -3.037 0.635 -3.079 0.00 0.00 +0.015 C ATOM 14 C LIG 1 -2.140 0.422 -1.855 0.00 0.00 +0.048 C ATOM 15 C LIG 1 -1.085 -0.605 -2.194 0.00 0.00 +0.104 C ATOM 16 F LIG 1 -0.087 -0.255 -3.036 0.00 0.00 -0.210 F ATOM 17 C LIG 1 -1.092 -1.852 -1.705 0.00 0.00 +0.046 C ATOM 18 C LIG 1 -2.137 -2.294 -0.807 0.00 0.00 +0.036 C ATOM 19 C LIG 1 -3.034 -1.430 -0.302 0.00 0.00 -0.013 C ATOM 20 C LIG 1 -2.986 0.042 -0.612 0.00 0.00 +0.038 C ENDBRANCH 9 18 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 N LIG 1 1.569 -0.053 1.290 0.00 0.00 -0.322 N ATOM 22 H LIG 1 2.552 -0.208 1.093 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.183 1.256 0.968 0.00 0.00 +0.130 A ATOM 24 C LIG 1 1.518 1.793 -0.292 0.00 0.00 +0.041 A ATOM 25 C LIG 1 1.061 3.098 -0.565 0.00 0.00 +0.088 A ATOM 26 C LIG 1 1.396 3.658 -1.817 0.00 0.00 +0.063 A ATOM 27 C LIG 1 2.153 2.938 -2.764 0.00 0.00 +0.015 A ATOM 28 C LIG 1 2.583 1.649 -2.492 0.00 0.00 +0.002 A ATOM 29 N LIG 1 0.322 3.770 0.349 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 0.052 3.158 1.507 0.00 0.00 +0.223 A ATOM 31 C LIG 1 2.263 1.080 -1.267 0.00 0.00 +0.013 A ATOM 32 N LIG 1 0.447 1.937 1.859 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 0.978 5.034 -2.241 0.00 0.00 +0.244 C ATOM 34 O LIG 1 1.339 5.511 -3.315 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 0.169 5.756 -1.416 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -0.096 6.692 -1.693 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -0.127 5.385 -0.518 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 6