REMARK Name = BDB063460 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.270 0.019 -0.109 0.00 0.00 -0.023 C ATOM 2 C LIG 1 0.764 -1.056 0.902 0.00 0.00 +0.026 C ATOM 3 C LIG 1 1.880 -1.940 0.342 0.00 0.00 +0.107 C ATOM 4 N LIG 1 3.034 -1.127 -0.026 0.00 0.00 -0.310 N ATOM 5 C LIG 1 2.813 0.273 -0.385 0.00 0.00 +0.107 C ATOM 6 C LIG 1 1.442 0.429 -1.046 0.00 0.00 +0.026 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 4.312 -1.609 -0.032 0.00 0.00 +0.162 A ATOM 8 S LIG 1 4.709 -3.283 0.183 0.00 0.00 -0.052 S ATOM 9 C LIG 1 6.382 -2.937 0.027 0.00 0.00 +0.042 A ATOM 10 C LIG 1 6.538 -1.570 -0.185 0.00 0.00 +0.080 A ATOM 11 C LIG 1 7.839 -1.051 -0.346 0.00 0.00 +0.030 A ATOM 12 C LIG 1 8.942 -1.909 -0.291 0.00 0.00 +0.022 A ATOM 13 C LIG 1 8.756 -3.271 -0.076 0.00 0.00 +0.042 A ATOM 14 CL LIG 1 10.126 -4.312 -0.009 0.00 0.00 -0.084 Cl ATOM 15 C LIG 1 7.479 -3.813 0.087 0.00 0.00 +0.037 A ATOM 16 N LIG 1 5.365 -0.841 -0.217 0.00 0.00 -0.225 NA ENDBRANCH 4 7 BRANCH 1 17 ATOM 17 C LIG 1 -0.203 1.280 0.683 0.00 0.00 +0.007 C BRANCH 17 18 ATOM 18 C LIG 1 -1.398 1.054 1.621 0.00 0.00 +0.000 C BRANCH 18 20 ATOM 19 C LIG 1 -0.788 2.807 3.376 0.00 0.00 +0.004 C ATOM 20 C LIG 1 -1.821 2.320 2.372 0.00 0.00 -0.003 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 1 21 ATOM 21 C LIG 1 -0.878 -0.590 -0.966 0.00 0.00 +0.048 C BRANCH 21 22 ATOM 22 C LIG 1 -1.520 0.360 -1.984 0.00 0.00 +0.229 C BRANCH 22 23 ATOM 23 O LIG 1 -2.508 -0.336 -2.761 0.00 0.00 -0.490 OA BRANCH 23 24 ATOM 24 C LIG 1 -3.742 -0.361 -2.163 0.00 0.00 +0.139 A ATOM 25 C LIG 1 -4.315 -1.584 -1.802 0.00 0.00 +0.083 A ATOM 26 CL LIG 1 -3.491 -3.079 -2.058 0.00 0.00 -0.080 Cl ATOM 27 C LIG 1 -5.574 -1.613 -1.201 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -6.273 -0.423 -0.977 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -5.726 0.805 -1.371 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.461 0.824 -1.979 0.00 0.00 +0.051 A BRANCH 29 31 ATOM 31 C LIG 1 -6.477 2.095 -1.138 0.00 0.00 +0.155 C BRANCH 31 32 ATOM 32 C LIG 1 -5.905 2.954 -0.026 0.00 0.00 +0.309 C ATOM 33 O LIG 1 -4.877 2.735 0.596 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -6.663 4.053 0.218 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 -7.456 4.131 -0.344 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 11