REMARK Name = BDB063464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.355 -1.518 0.821 0.00 0.00 -0.021 C ATOM 2 C LIG 1 -1.716 -1.780 1.554 0.00 0.00 +0.026 C ATOM 3 C LIG 1 -2.964 -1.538 0.694 0.00 0.00 +0.107 C ATOM 4 N LIG 1 -2.822 -0.304 -0.064 0.00 0.00 -0.310 N ATOM 5 C LIG 1 -1.665 -0.204 -0.961 0.00 0.00 +0.107 C ATOM 6 C LIG 1 -0.644 -1.312 -0.690 0.00 0.00 +0.026 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.872 0.533 -0.329 0.00 0.00 +0.162 A ATOM 8 S LIG 1 -5.405 0.459 0.477 0.00 0.00 -0.052 S ATOM 9 C LIG 1 -5.986 1.790 -0.435 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -4.978 2.215 -1.295 0.00 0.00 +0.080 A ATOM 11 C LIG 1 -5.228 3.309 -2.149 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -6.474 3.944 -2.118 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -7.463 3.497 -1.248 0.00 0.00 +0.042 A ATOM 14 CL LIG 1 -8.992 4.290 -1.225 0.00 0.00 -0.084 Cl ATOM 15 C LIG 1 -7.243 2.416 -0.391 0.00 0.00 +0.037 A ATOM 16 N LIG 1 -3.801 1.498 -1.222 0.00 0.00 -0.225 NA ENDBRANCH 4 7 BRANCH 1 17 ATOM 17 C LIG 1 0.620 -2.733 0.983 0.00 0.00 -0.005 C ATOM 18 C LIG 1 0.110 -4.088 0.441 0.00 0.00 +0.004 C ATOM 19 C LIG 1 0.549 -5.152 1.446 0.00 0.00 +0.000 C ATOM 20 C LIG 1 1.577 -4.469 2.331 0.00 0.00 +0.000 C ATOM 21 C LIG 1 1.063 -3.042 2.420 0.00 0.00 +0.004 C ENDBRANCH 1 17 BRANCH 1 22 ATOM 22 C LIG 1 0.273 -0.231 1.473 0.00 0.00 +0.048 C BRANCH 22 23 ATOM 23 C LIG 1 1.627 0.257 0.943 0.00 0.00 +0.229 C BRANCH 23 24 ATOM 24 O LIG 1 1.465 0.802 -0.363 0.00 0.00 -0.492 OA BRANCH 24 27 ATOM 25 C LIG 1 4.896 2.054 -1.105 0.00 0.00 -0.032 A ATOM 26 C LIG 1 3.860 1.367 -0.446 0.00 0.00 +0.050 A ATOM 27 C LIG 1 2.547 1.421 -0.924 0.00 0.00 +0.122 A ATOM 28 C LIG 1 2.266 2.146 -2.082 0.00 0.00 +0.065 A ATOM 29 C LIG 1 3.285 2.825 -2.744 0.00 0.00 +0.045 A ATOM 30 CL LIG 1 2.932 3.719 -4.172 0.00 0.00 -0.083 Cl ATOM 31 C LIG 1 4.594 2.784 -2.263 0.00 0.00 +0.024 A BRANCH 25 32 ATOM 32 C LIG 1 6.320 1.975 -0.601 0.00 0.00 +0.155 C BRANCH 32 34 ATOM 33 O LIG 1 5.673 2.847 1.590 0.00 0.00 -0.251 OA ATOM 34 C LIG 1 6.540 2.493 0.807 0.00 0.00 +0.309 C BRANCH 34 35 ATOM 35 O LIG 1 7.853 2.503 1.151 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 8.459 2.196 0.451 0.00 0.00 +0.295 HD ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 25 32 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 9