REMARK Name = BDB006154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.874 2.255 -0.589 0.00 0.00 -0.267 N ATOM 2 C LIG 1 -3.053 1.185 0.282 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -1.768 0.799 0.591 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -0.970 -0.154 1.395 0.00 0.00 +0.146 C ATOM 5 N LIG 1 0.414 0.186 0.993 0.00 0.00 -0.251 N ATOM 6 C LIG 1 0.474 1.353 0.185 0.00 0.00 +0.272 C ATOM 7 O LIG 1 1.437 2.021 -0.156 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.917 1.664 -0.084 0.00 0.00 +0.153 A ATOM 9 N LIG 1 -1.565 2.568 -0.807 0.00 0.00 -0.166 NA ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -1.444 -1.566 1.088 0.00 0.00 -0.019 A ATOM 11 C LIG 1 -1.334 -2.229 -0.160 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -0.734 -1.601 -1.391 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -1.824 -3.546 -0.288 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -2.408 -4.205 0.790 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -2.998 -5.810 0.599 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -2.519 -3.571 2.018 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -2.042 -2.267 2.163 0.00 0.00 +0.007 A ENDBRANCH 4 10 BRANCH 5 18 ATOM 18 C LIG 1 1.553 -0.490 1.518 0.00 0.00 +0.081 A ATOM 19 C LIG 1 2.744 -0.649 0.777 0.00 0.00 +0.142 A ATOM 20 C LIG 1 3.841 -1.326 1.332 0.00 0.00 +0.049 A ATOM 21 C LIG 1 3.774 -1.839 2.626 0.00 0.00 +0.024 A ATOM 22 C LIG 1 2.599 -1.702 3.354 0.00 0.00 +0.043 A ATOM 23 CL LIG 1 2.501 -2.352 4.945 0.00 0.00 -0.083 Cl ATOM 24 C LIG 1 1.495 -1.046 2.807 0.00 0.00 +0.047 A BRANCH 19 25 ATOM 25 O LIG 1 2.745 -0.316 -0.555 0.00 0.00 -0.489 OA BRANCH 25 26 ATOM 26 C LIG 1 3.899 0.412 -1.006 0.00 0.00 +0.244 C BRANCH 26 27 ATOM 27 C LIG 1 4.656 -0.434 -2.046 0.00 0.00 +0.124 C BRANCH 27 28 ATOM 28 N LIG 1 5.878 0.136 -2.638 0.00 0.00 -0.305 NA ATOM 29 C LIG 1 6.930 0.359 -1.650 0.00 0.00 +0.104 C ATOM 30 C LIG 1 5.609 1.355 -3.398 0.00 0.00 +0.104 C ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 19 25 ENDBRANCH 5 18 BRANCH 2 31 ATOM 31 C LIG 1 -4.351 0.589 0.751 0.00 0.00 +0.032 C ATOM 32 C LIG 1 -5.292 1.601 1.400 0.00 0.00 +0.014 C ATOM 33 C LIG 1 -5.042 -0.221 -0.344 0.00 0.00 +0.014 C ENDBRANCH 2 31 BRANCH 1 35 ATOM 34 C LIG 1 -4.054 4.424 -0.647 0.00 0.00 +0.029 C ATOM 35 C LIG 1 -3.865 3.058 -1.284 0.00 0.00 +0.140 C ENDBRANCH 1 35 TORSDOF 8