REMARK Name = BDB030083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.663 -2.268 -0.076 0.00 0.00 +0.262 C ATOM 2 N LIG 1 -0.098 -3.078 0.744 0.00 0.00 -0.228 N ATOM 3 H LIG 1 0.021 -3.121 1.758 0.00 0.00 +0.171 HD ATOM 4 O LIG 1 0.347 -2.066 -1.247 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.807 -0.163 0.178 0.00 0.00 +0.004 A ATOM 6 C LIG 1 2.657 -0.805 -0.315 0.00 0.00 +0.026 A ATOM 7 C LIG 1 1.868 -1.623 0.511 0.00 0.00 +0.075 A ATOM 8 C LIG 1 2.239 -1.795 1.843 0.00 0.00 +0.154 A ATOM 9 F LIG 1 1.500 -2.564 2.659 0.00 0.00 -0.203 F ATOM 10 C LIG 1 3.378 -1.165 2.343 0.00 0.00 +0.077 A ATOM 11 CL LIG 1 3.838 -1.378 3.990 0.00 0.00 -0.081 Cl ATOM 12 C LIG 1 4.160 -0.353 1.519 0.00 0.00 +0.033 A BRANCH 5 16 ATOM 13 C LIG 1 7.235 2.861 -1.771 0.00 0.00 +0.150 C ATOM 14 N LIG 1 6.094 2.004 -1.573 0.00 0.00 -0.339 N ATOM 15 C LIG 1 5.743 1.372 -0.412 0.00 0.00 +0.115 A ATOM 16 C LIG 1 4.590 0.677 -0.716 0.00 0.00 +0.089 A ATOM 17 N LIG 1 4.248 0.882 -2.034 0.00 0.00 -0.236 NA ATOM 18 C LIG 1 5.170 1.682 -2.521 0.00 0.00 +0.199 A ENDBRANCH 5 16 ENDBRANCH 1 7 BRANCH 2 19 ATOM 19 N LIG 1 -1.407 -3.588 0.200 0.00 0.00 -0.112 NA ATOM 20 H LIG 1 -1.393 -3.786 -0.809 0.00 0.00 +0.171 HD BRANCH 19 21 ATOM 21 S LIG 1 -2.805 -2.744 0.672 0.00 0.00 +0.045 S ATOM 22 O LIG 1 -2.654 -2.419 2.075 0.00 0.00 -0.157 OA ATOM 23 O LIG 1 -3.938 -3.494 0.178 0.00 0.00 -0.157 OA BRANCH 21 24 ATOM 24 C LIG 1 -2.663 -1.235 -0.289 0.00 0.00 +0.190 C BRANCH 24 25 ATOM 25 C LIG 1 -3.915 -0.349 -0.186 0.00 0.00 +0.017 C ATOM 26 C LIG 1 -4.091 0.255 1.225 0.00 0.00 +0.080 C ATOM 27 C LIG 1 -4.762 1.623 1.222 0.00 0.00 +0.249 C ATOM 28 F LIG 1 -5.338 1.851 2.426 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -3.810 2.583 1.069 0.00 0.00 -0.206 F ATOM 30 C LIG 1 -5.788 1.774 0.118 0.00 0.00 +0.075 C ATOM 31 C LIG 1 -5.165 1.584 -1.266 0.00 0.00 +0.006 C ATOM 32 C LIG 1 -3.881 0.749 -1.257 0.00 0.00 +0.005 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 21 ENDBRANCH 2 19 TORSDOF 6