REMARK Name = BDB002415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.013 -0.012 -0.195 0.00 0.00 -0.251 N ATOM 2 C LIG 1 0.963 -0.437 -1.108 0.00 0.00 +0.204 A ATOM 3 C LIG 1 2.204 -0.332 -0.510 0.00 0.00 +0.026 A ATOM 4 C LIG 1 3.555 -0.671 -1.063 0.00 0.00 +0.088 C ATOM 5 C LIG 1 4.661 -0.399 -0.070 0.00 0.00 +0.019 C ATOM 6 C LIG 1 4.481 0.085 1.173 0.00 0.00 -0.006 C ATOM 7 C LIG 1 3.134 0.427 1.758 0.00 0.00 +0.069 C ATOM 8 CL LIG 1 6.259 -0.755 -0.631 0.00 0.00 -0.088 Cl ATOM 9 C LIG 1 2.010 0.172 0.803 0.00 0.00 +0.025 A ATOM 10 C LIG 1 0.655 0.375 0.976 0.00 0.00 +0.204 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.709 -0.021 0.446 0.00 0.00 +0.061 A ATOM 12 C LIG 1 -2.326 -0.068 0.665 0.00 0.00 +0.041 A ATOM 13 C LIG 1 -1.435 0.022 -0.414 0.00 0.00 +0.053 A ATOM 14 C LIG 1 -1.961 0.141 -1.710 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.344 0.169 -1.926 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -4.222 0.084 -0.850 0.00 0.00 +0.015 A BRANCH 11 18 ATOM 17 O LIG 1 -4.464 -0.924 2.514 0.00 0.00 -0.245 OA ATOM 18 C LIG 1 -4.614 -0.121 1.611 0.00 0.00 +0.337 C BRANCH 18 19 ATOM 19 O LIG 1 -5.599 0.802 1.579 0.00 0.00 -0.477 OA ATOM 20 H LIG 1 -5.487 1.478 0.884 0.00 0.00 +0.295 HD ENDBRANCH 18 19 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 2 21 ATOM 21 O LIG 1 0.656 -0.910 -2.315 0.00 0.00 -0.493 OA ATOM 22 H LIG 1 1.476 -1.215 -2.740 0.00 0.00 +0.294 HD ENDBRANCH 2 21 BRANCH 10 23 ATOM 23 O LIG 1 0.015 0.899 2.020 0.00 0.00 -0.493 OA ATOM 24 H LIG 1 0.670 1.097 2.711 0.00 0.00 +0.294 HD ENDBRANCH 10 23 TORSDOF 5