REMARK Name = BDB034353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.759 0.667 -0.611 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -2.124 0.267 -0.473 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.506 -0.399 0.715 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -3.832 -0.774 0.891 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.825 -0.530 -0.071 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -4.448 0.094 -1.258 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -1.642 -0.705 1.692 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 -0.350 -0.380 1.508 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -3.122 0.487 -1.455 0.00 0.00 +0.012 A ATOM 10 C LIG 1 0.129 0.280 0.393 0.00 0.00 +0.043 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -0.325 1.310 -1.785 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -1.062 1.882 -2.187 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 0.978 1.970 -1.889 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 1.878 1.235 -2.883 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 2.483 -0.064 -2.348 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 3.442 0.208 -1.272 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 4.236 0.725 -1.652 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 3.963 -1.051 -0.717 0.00 0.00 +0.120 C BRANCH 18 21 ATOM 19 C LIG 1 7.075 -1.279 1.527 0.00 0.00 +0.162 A ATOM 20 C LIG 1 6.169 -1.483 0.473 0.00 0.00 +0.163 A ATOM 21 C LIG 1 4.951 -0.800 0.399 0.00 0.00 +0.011 A ATOM 22 C LIG 1 4.640 0.093 1.437 0.00 0.00 +0.009 A ATOM 23 C LIG 1 5.532 0.308 2.491 0.00 0.00 +0.004 A ATOM 24 C LIG 1 6.749 -0.375 2.537 0.00 0.00 +0.049 A BRANCH 19 26 ATOM 25 C LIG 1 9.166 -1.852 2.504 0.00 0.00 +0.277 C ATOM 26 O LIG 1 8.227 -2.022 1.449 0.00 0.00 -0.491 OA ENDBRANCH 19 26 BRANCH 20 27 ATOM 27 O LIG 1 6.498 -2.386 -0.508 0.00 0.00 -0.503 OA ATOM 28 H LIG 1 7.373 -2.733 -0.244 0.00 0.00 +0.292 HD ENDBRANCH 20 27 ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 29 ATOM 29 C LIG 1 -6.249 -0.982 0.172 0.00 0.00 +0.073 C BRANCH 29 30 ATOM 30 C LIG 1 -7.279 0.132 0.149 0.00 0.00 -0.006 A ATOM 31 C LIG 1 -7.433 1.002 1.248 0.00 0.00 +0.046 A ATOM 32 CL LIG 1 -6.505 0.834 2.698 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 -8.368 2.045 1.224 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -9.172 2.244 0.107 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -9.043 1.396 -0.987 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -8.109 0.351 -0.969 0.00 0.00 +0.046 A ATOM 37 CL LIG 1 -8.044 -0.642 -2.386 0.00 0.00 -0.083 Cl ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 11