REMARK Name = BDB032934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.802 1.232 0.419 0.00 0.00 +0.028 A ATOM 2 C LIG 1 0.955 0.141 0.178 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -0.445 0.207 0.366 0.00 0.00 -0.004 A ATOM 4 C LIG 1 -0.998 1.438 0.775 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -0.166 2.542 1.002 0.00 0.00 +0.015 A ATOM 6 C LIG 1 1.212 2.440 0.805 0.00 0.00 +0.024 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.247 -1.011 0.148 0.00 0.00 -0.017 A ATOM 8 C LIG 1 -1.996 -1.581 1.190 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -2.783 -2.714 0.970 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -2.826 -3.299 -0.293 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -2.080 -2.756 -1.336 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.294 -1.622 -1.117 0.00 0.00 +0.008 A ENDBRANCH 3 7 BRANCH 4 13 ATOM 13 C LIG 1 -2.457 1.661 0.987 0.00 0.00 +0.250 C ATOM 14 N LIG 1 -3.263 1.209 -0.031 0.00 0.00 -0.261 N ATOM 15 H LIG 1 -2.863 0.759 -0.841 0.00 0.00 +0.157 HD ATOM 16 O LIG 1 -2.806 2.248 2.003 0.00 0.00 -0.270 OA BRANCH 14 17 ATOM 17 C LIG 1 -4.627 1.255 0.035 0.00 0.00 +0.168 A ATOM 18 S LIG 1 -5.400 0.550 -1.310 0.00 0.00 -0.028 S ATOM 19 C LIG 1 -6.909 0.932 -0.608 0.00 0.00 +0.184 A ATOM 20 C LIG 1 -6.728 1.553 0.615 0.00 0.00 +0.167 A ATOM 21 CL LIG 1 -7.952 2.070 1.700 0.00 0.00 -0.059 Cl ATOM 22 N LIG 1 -5.400 1.739 0.970 0.00 0.00 -0.211 NA BRANCH 19 23 ATOM 23 N LIG 1 -8.172 0.575 -1.274 0.00 0.00 -0.020 NA ATOM 24 O LIG 1 -9.089 1.389 -1.121 0.00 0.00 -0.143 OA ENDBRANCH 19 23 ENDBRANCH 14 17 ENDBRANCH 4 13 BRANCH 1 25 ATOM 25 N LIG 1 3.179 1.215 0.172 0.00 0.00 -0.344 N ATOM 26 H LIG 1 3.664 1.913 0.733 0.00 0.00 +0.146 HD BRANCH 25 27 ATOM 27 C LIG 1 3.891 -0.058 0.112 0.00 0.00 +0.101 C BRANCH 27 28 ATOM 28 C LIG 1 5.389 0.205 -0.060 0.00 0.00 +0.018 C BRANCH 28 30 ATOM 29 C LIG 1 7.666 -0.842 -0.317 0.00 0.00 +0.004 C ATOM 30 C LIG 1 6.178 -1.101 -0.147 0.00 0.00 -0.002 C ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8