REMARK Name = BDB049091 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.171 -0.157 1.586 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -0.805 -1.053 0.575 0.00 0.00 +0.006 A ATOM 3 C LIG 1 0.537 -1.205 0.199 0.00 0.00 +0.023 A ATOM 4 C LIG 1 1.553 -0.454 0.802 0.00 0.00 +0.030 A ATOM 5 C LIG 1 1.173 0.452 1.802 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.163 0.604 2.188 0.00 0.00 +0.006 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 2.912 -0.564 0.470 0.00 0.00 -0.327 N ATOM 8 C LIG 1 3.427 0.635 -0.230 0.00 0.00 +0.124 C ATOM 9 C LIG 1 4.966 0.601 -0.295 0.00 0.00 +0.127 C ATOM 10 N LIG 1 5.496 -0.673 -0.812 0.00 0.00 -0.295 N ATOM 11 C LIG 1 6.809 -0.800 -1.269 0.00 0.00 +0.247 C ATOM 12 O LIG 1 7.436 -1.855 -1.275 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 4.901 -1.869 -0.203 0.00 0.00 +0.127 C ATOM 14 C LIG 1 3.365 -1.819 -0.166 0.00 0.00 +0.124 C BRANCH 11 15 ATOM 15 C LIG 1 7.487 0.402 -1.795 0.00 0.00 +0.037 A ATOM 16 C LIG 1 8.615 0.892 -1.131 0.00 0.00 +0.014 A ATOM 17 C LIG 1 9.264 2.026 -1.624 0.00 0.00 +0.021 A ATOM 18 C LIG 1 8.793 2.645 -2.784 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 9.595 4.042 -3.390 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 7.684 2.137 -3.462 0.00 0.00 +0.021 A ATOM 21 C LIG 1 7.027 1.008 -2.968 0.00 0.00 +0.014 A ENDBRANCH 11 15 ENDBRANCH 4 7 BRANCH 1 25 ATOM 22 N LIG 1 -4.610 -0.109 0.672 0.00 0.00 -0.296 NA ATOM 23 C LIG 1 -4.839 -0.835 1.923 0.00 0.00 +0.104 C ATOM 24 C LIG 1 -3.418 -1.263 2.349 0.00 0.00 +0.079 C ATOM 25 C LIG 1 -2.613 0.029 2.020 0.00 0.00 +0.051 C ATOM 26 C LIG 1 -3.444 0.750 0.934 0.00 0.00 +0.094 C BRANCH 24 27 ATOM 27 N LIG 1 -3.326 -1.721 3.762 0.00 0.00 -0.304 NA ATOM 28 C LIG 1 -1.962 -2.151 4.091 0.00 0.00 +0.104 C ATOM 29 C LIG 1 -4.250 -2.831 4.026 0.00 0.00 +0.104 C ENDBRANCH 24 27 BRANCH 22 30 ATOM 30 C LIG 1 -5.797 0.641 0.248 0.00 0.00 +0.122 C BRANCH 30 33 ATOM 31 C LIG 1 -5.693 -0.981 -2.312 0.00 0.00 +0.044 C ATOM 32 C LIG 1 -5.609 0.524 -2.313 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -5.644 1.278 -1.116 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -5.521 2.673 -1.201 0.00 0.00 +0.128 A ATOM 35 F LIG 1 -5.548 3.417 -0.084 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -5.363 3.324 -2.422 0.00 0.00 +0.039 A ATOM 37 C LIG 1 -5.324 2.582 -3.594 0.00 0.00 +0.003 A ATOM 38 C LIG 1 -5.443 1.191 -3.539 0.00 0.00 +0.004 A ENDBRANCH 30 33 ENDBRANCH 22 30 ENDBRANCH 1 25 TORSDOF 6