REMARK Name = BDB010536 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.053 0.353 -0.124 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -0.386 1.658 -0.216 0.00 0.00 +0.115 A ATOM 3 C LIG 1 0.747 2.362 -0.595 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.762 3.675 -0.871 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -0.435 4.248 -0.734 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.597 3.663 -0.355 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 1.840 1.555 -0.651 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.587 2.340 -0.076 0.00 0.00 +0.101 A ATOM 9 C LIG 1 1.430 0.368 -0.267 0.00 0.00 +0.201 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -2.845 1.763 0.374 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -3.921 1.610 -0.516 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -5.128 1.056 -0.083 0.00 0.00 +0.044 A ATOM 13 CL LIG 1 -6.419 0.852 -1.200 0.00 0.00 -0.083 Cl ATOM 14 C LIG 1 -5.292 0.662 1.240 0.00 0.00 +0.058 A ATOM 15 C LIG 1 -4.238 0.835 2.126 0.00 0.00 +0.125 A ATOM 16 F LIG 1 -4.384 0.462 3.403 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -3.027 1.382 1.711 0.00 0.00 +0.048 A ENDBRANCH 8 10 BRANCH 5 18 ATOM 18 C LIG 1 -0.529 5.698 -1.019 0.00 0.00 +0.220 A ATOM 19 N LIG 1 -1.713 6.316 -0.873 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -2.583 5.905 -0.579 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -1.523 7.603 -1.188 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -2.375 8.477 -1.171 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -0.206 7.775 -1.534 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 0.416 6.490 -1.409 0.00 0.00 -0.051 NA ENDBRANCH 5 18 BRANCH 9 25 ATOM 25 N LIG 1 2.199 -0.746 -0.112 0.00 0.00 -0.289 N ATOM 26 C LIG 1 2.405 -1.268 1.276 0.00 0.00 +0.132 C ATOM 27 C LIG 1 3.162 -2.627 1.211 0.00 0.00 +0.187 C ATOM 28 O LIG 1 4.368 -2.586 0.429 0.00 0.00 -0.376 OA ATOM 29 C LIG 1 4.095 -2.122 -0.900 0.00 0.00 +0.179 C ATOM 30 C LIG 1 3.458 -0.727 -0.895 0.00 0.00 +0.136 C BRANCH 26 31 ATOM 31 C LIG 1 3.021 -0.245 2.232 0.00 0.00 -0.025 A ATOM 32 C LIG 1 4.406 -0.087 2.393 0.00 0.00 +0.005 A ATOM 33 C LIG 1 4.923 0.860 3.281 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.066 1.667 4.023 0.00 0.00 +0.000 A ATOM 35 C LIG 1 2.689 1.530 3.878 0.00 0.00 +0.000 A ATOM 36 C LIG 1 2.171 0.583 2.991 0.00 0.00 +0.005 A ENDBRANCH 26 31 ENDBRANCH 9 25 BRANCH 1 37 ATOM 37 C LIG 1 -0.781 -0.835 -0.042 0.00 0.00 +0.128 C BRANCH 37 42 ATOM 38 C LIG 1 -0.696 -5.454 -1.736 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -0.934 -3.990 -1.369 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -2.395 -3.595 -1.582 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -2.674 -2.166 -1.107 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -1.522 -1.169 -1.357 0.00 0.00 +0.009 C ATOM 43 C LIG 1 -0.580 -1.687 -2.453 0.00 0.00 +0.005 C ATOM 44 C LIG 1 0.011 -3.069 -2.158 0.00 0.00 +0.003 C ENDBRANCH 37 42 ENDBRANCH 1 37 TORSDOF 6