REMARK Name = BDB057125 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.622 -1.421 -0.162 0.00 0.00 +0.215 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.741 -0.753 0.619 0.00 0.00 -0.015 A ATOM 3 C LIG 1 -2.470 0.323 0.074 0.00 0.00 +0.029 A ATOM 4 C LIG 1 -3.490 0.943 0.801 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -3.790 0.471 2.084 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -3.075 -0.591 2.638 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -2.052 -1.197 1.911 0.00 0.00 +0.006 A BRANCH 4 8 ATOM 8 N LIG 1 -4.254 2.025 0.322 0.00 0.00 -0.285 N ATOM 9 H LIG 1 -4.974 2.378 0.946 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -4.101 2.726 -0.859 0.00 0.00 +0.232 C ATOM 11 O LIG 1 -3.241 2.510 -1.712 0.00 0.00 -0.274 OA BRANCH 10 12 ATOM 12 C LIG 1 -5.138 3.813 -1.103 0.00 0.00 +0.204 C ATOM 13 CL LIG 1 -5.991 4.303 0.381 0.00 0.00 -0.116 Cl ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 14 ATOM 14 N LIG 1 0.475 -0.489 -0.360 0.00 0.00 -0.264 N ATOM 15 H LIG 1 0.280 0.418 -0.761 0.00 0.00 +0.153 HD ATOM 16 C LIG 1 1.741 -0.940 -0.566 0.00 0.00 +0.401 C ATOM 17 O LIG 1 2.103 -2.096 -0.406 0.00 0.00 -0.226 OA BRANCH 16 18 ATOM 18 O LIG 1 2.511 0.085 -0.991 0.00 0.00 -0.446 OA BRANCH 18 19 ATOM 19 C LIG 1 3.881 -0.236 -1.254 0.00 0.00 +0.269 C BRANCH 19 20 ATOM 20 C LIG 1 4.726 0.130 -0.061 0.00 0.00 -0.010 A ATOM 21 C LIG 1 5.137 1.454 0.142 0.00 0.00 +0.007 A ATOM 22 C LIG 1 5.906 1.794 1.256 0.00 0.00 +0.000 A ATOM 23 C LIG 1 6.263 0.816 2.182 0.00 0.00 +0.000 A ATOM 24 C LIG 1 5.848 -0.502 1.998 0.00 0.00 +0.000 A ATOM 25 C LIG 1 5.080 -0.844 0.884 0.00 0.00 +0.007 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 1 14 BRANCH 1 26 ATOM 26 C LIG 1 -1.109 -1.969 -1.517 0.00 0.00 +0.332 C ATOM 27 O LIG 1 -0.889 -1.450 -2.606 0.00 0.00 -0.248 OA BRANCH 26 29 ATOM 28 C LIG 1 -2.353 -3.668 -2.544 0.00 0.00 +0.280 C ATOM 29 O LIG 1 -1.847 -3.105 -1.334 0.00 0.00 -0.466 OA ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 9