REMARK Name = BDB041185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.070 -0.089 -1.167 0.00 0.00 -0.322 N ATOM 2 H LIG 1 0.340 -0.447 -2.026 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -1.928 0.542 -2.572 0.00 0.00 +0.178 A ATOM 4 C LIG 1 -1.462 0.047 -1.352 0.00 0.00 +0.165 A ATOM 5 N LIG 1 -2.291 -0.229 -0.327 0.00 0.00 -0.209 NA ATOM 6 C LIG 1 -3.610 -0.013 -0.514 0.00 0.00 +0.164 A ATOM 7 N LIG 1 -4.152 0.429 -1.661 0.00 0.00 -0.232 NA ATOM 8 C LIG 1 -3.294 0.704 -2.661 0.00 0.00 +0.162 A BRANCH 6 9 ATOM 9 C LIG 1 -4.501 -0.347 0.602 0.00 0.00 +0.040 A ATOM 10 C LIG 1 -5.535 0.481 1.062 0.00 0.00 +0.044 A ATOM 11 N LIG 1 -5.869 1.800 0.619 0.00 0.00 -0.332 N ATOM 12 C LIG 1 -7.189 2.051 1.237 0.00 0.00 +0.109 C ATOM 13 C LIG 1 -7.349 1.129 2.448 0.00 0.00 +0.056 C ATOM 14 C LIG 1 -4.824 2.774 0.929 0.00 0.00 +0.129 C ATOM 15 C LIG 1 -6.379 0.053 2.103 0.00 0.00 -0.024 A ATOM 16 C LIG 1 -6.221 -1.170 2.734 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -5.191 -1.998 2.305 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -4.346 -1.591 1.260 0.00 0.00 +0.013 A ENDBRANCH 6 9 BRANCH 3 20 ATOM 19 C LIG 1 -1.495 1.413 -4.738 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -1.011 0.784 -3.557 0.00 0.00 -0.490 OA ENDBRANCH 3 20 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 C LIG 1 0.316 -0.857 0.005 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 C LIG 1 1.820 -1.022 0.011 0.00 0.00 -0.030 A ATOM 23 C LIG 1 2.652 0.083 0.231 0.00 0.00 +0.007 A ATOM 24 C LIG 1 4.047 -0.051 0.230 0.00 0.00 +0.028 A ATOM 25 C LIG 1 4.638 -1.299 0.015 0.00 0.00 +0.066 A ATOM 26 C LIG 1 3.800 -2.403 -0.230 0.00 0.00 +0.028 A ATOM 27 C LIG 1 2.408 -2.267 -0.229 0.00 0.00 +0.007 A BRANCH 25 28 ATOM 28 N LIG 1 6.056 -1.498 0.001 0.00 0.00 -0.236 N ATOM 29 C LIG 1 7.106 -0.678 0.421 0.00 0.00 +0.054 A ATOM 30 C LIG 1 6.975 0.606 1.160 0.00 0.00 +0.066 C ATOM 31 C LIG 1 8.286 -1.322 0.056 0.00 0.00 +0.095 A ATOM 32 C LIG 1 7.864 -2.538 -0.495 0.00 0.00 +0.147 A ATOM 33 N LIG 1 6.543 -2.671 -0.493 0.00 0.00 -0.174 NA BRANCH 31 34 ATOM 34 C LIG 1 9.691 -0.887 0.229 0.00 0.00 +0.421 C ATOM 35 F LIG 1 10.568 -1.705 -0.408 0.00 0.00 -0.166 F ATOM 36 F LIG 1 9.897 0.364 -0.257 0.00 0.00 -0.166 F ATOM 37 F LIG 1 10.053 -0.865 1.537 0.00 0.00 -0.166 F ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 7