REMARK Name = BDB033394 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.799 0.557 0.842 0.00 0.00 +0.077 A ATOM 2 C LIG 1 -1.998 0.807 -0.310 0.00 0.00 +0.019 A ATOM 3 C LIG 1 -1.178 -0.314 -0.500 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -0.249 -0.392 -1.550 0.00 0.00 +0.072 A ATOM 5 C LIG 1 -0.206 0.676 -2.455 0.00 0.00 +0.026 A ATOM 6 C LIG 1 -1.002 1.806 -2.285 0.00 0.00 +0.003 A ATOM 7 N LIG 1 -1.491 -1.203 0.510 0.00 0.00 -0.358 N ATOM 8 H LIG 1 -1.013 -2.089 0.657 0.00 0.00 +0.165 HD ATOM 9 C LIG 1 -1.896 1.885 -1.215 0.00 0.00 +0.011 A ATOM 10 C LIG 1 -2.463 -0.687 1.325 0.00 0.00 +0.102 A ENDROOT BRANCH 1 12 ATOM 11 N LIG 1 -4.574 2.135 1.875 0.00 0.00 -0.191 NA ATOM 12 C LIG 1 -3.779 1.425 1.416 0.00 0.00 +0.101 C ENDBRANCH 1 12 BRANCH 4 13 ATOM 13 N LIG 1 0.538 -1.537 -1.883 0.00 0.00 -0.212 N ATOM 14 H LIG 1 -0.005 -2.276 -2.330 0.00 0.00 +0.174 HD BRANCH 13 15 ATOM 15 S LIG 1 1.528 -2.224 -0.687 0.00 0.00 +0.096 S ATOM 16 O LIG 1 0.644 -2.813 0.303 0.00 0.00 -0.148 OA ATOM 17 O LIG 1 2.493 -3.054 -1.378 0.00 0.00 -0.148 OA BRANCH 15 18 ATOM 18 C LIG 1 2.444 -0.934 0.132 0.00 0.00 +0.236 A ATOM 19 S LIG 1 3.601 -0.078 -0.794 0.00 0.00 -0.055 S ATOM 20 C LIG 1 3.943 0.899 0.575 0.00 0.00 +0.068 A ATOM 21 C LIG 1 3.147 0.513 1.633 0.00 0.00 +0.120 A ATOM 22 N LIG 1 2.281 -0.533 1.380 0.00 0.00 -0.229 NA ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 4 13 TORSDOF 4