REMARK Name = BDB003367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.083 -0.177 0.618 0.00 0.00 -0.340 N ATOM 2 H LIG 1 0.138 0.242 1.553 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.282 -0.153 0.259 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -2.241 0.082 1.262 0.00 0.00 +0.138 A ATOM 5 C LIG 1 -3.609 0.059 0.993 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.042 -0.223 -0.301 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -3.112 -0.486 -1.306 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.741 -0.462 -1.024 0.00 0.00 +0.026 A BRANCH 4 9 ATOM 9 O LIG 1 -1.785 0.364 2.527 0.00 0.00 -0.505 OA ATOM 10 H LIG 1 -2.554 0.435 3.115 0.00 0.00 +0.292 HD ENDBRANCH 4 9 ENDBRANCH 1 3 BRANCH 1 11 ATOM 11 C LIG 1 1.023 0.422 -0.327 0.00 0.00 +0.116 C BRANCH 11 13 ATOM 12 C LIG 1 2.954 -0.930 0.679 0.00 0.00 +0.021 C ATOM 13 C LIG 1 2.433 0.447 0.267 0.00 0.00 +0.111 C BRANCH 13 14 ATOM 14 C LIG 1 3.344 1.141 -0.722 0.00 0.00 +0.309 C ATOM 15 O LIG 1 3.637 2.326 -0.640 0.00 0.00 -0.251 OA BRANCH 14 16 ATOM 16 O LIG 1 3.777 0.376 -1.747 0.00 0.00 -0.480 OA ATOM 17 H LIG 1 3.478 -0.552 -1.739 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 1 11 TORSDOF 6