REMARK Name = BDB034877 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.269 0.508 1.270 0.00 0.00 -0.152 NA ATOM 2 C LIG 1 -0.884 -0.623 1.402 0.00 0.00 +0.170 A ATOM 3 N LIG 1 -1.951 -1.110 0.637 0.00 0.00 -0.296 N ATOM 4 C LIG 1 -2.307 -2.420 0.920 0.00 0.00 +0.101 A ATOM 5 C LIG 1 -1.625 -3.003 1.913 0.00 0.00 +0.066 A ATOM 6 S LIG 1 -0.427 -1.921 2.573 0.00 0.00 -0.060 S ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.500 -0.380 -0.451 0.00 0.00 +0.067 A ATOM 8 C LIG 1 -3.124 0.872 -0.288 0.00 0.00 +0.065 A ATOM 9 CL LIG 1 -3.401 1.564 1.274 0.00 0.00 -0.081 Cl ATOM 10 C LIG 1 -3.622 1.571 -1.395 0.00 0.00 +0.022 A ATOM 11 C LIG 1 -3.514 1.030 -2.675 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -2.917 -0.215 -2.853 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -2.419 -0.915 -1.752 0.00 0.00 +0.028 A ENDBRANCH 3 7 BRANCH 1 15 ATOM 14 O LIG 1 0.599 1.105 3.297 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 0.760 0.790 2.122 0.00 0.00 +0.270 C BRANCH 15 16 ATOM 16 C LIG 1 2.138 0.726 1.572 0.00 0.00 +0.051 A ATOM 17 C LIG 1 2.421 0.625 0.193 0.00 0.00 +0.031 A ATOM 18 C LIG 1 3.767 0.551 -0.158 0.00 0.00 +0.139 A ATOM 19 N LIG 1 3.854 0.456 -1.520 0.00 0.00 -0.346 N ATOM 20 H LIG 1 4.729 0.393 -2.018 0.00 0.00 +0.167 HD ATOM 21 C LIG 1 2.599 0.478 -2.068 0.00 0.00 +0.085 A ATOM 22 N LIG 1 4.835 0.567 0.658 0.00 0.00 -0.237 NA ATOM 23 C LIG 1 4.508 0.679 1.962 0.00 0.00 +0.114 A ATOM 24 C LIG 1 1.693 0.587 -1.034 0.00 0.00 +0.030 A ATOM 25 C LIG 1 3.220 0.760 2.463 0.00 0.00 +0.033 A ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 3