REMARK Name = BDB064084 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.444 0.464 0.252 0.00 0.00 -0.237 N ATOM 2 C LIG 1 2.946 0.120 1.499 0.00 0.00 +0.145 C ATOM 3 S LIG 1 3.755 -0.160 2.918 0.00 0.00 -0.018 S ATOM 4 N LIG 1 1.567 0.041 1.390 0.00 0.00 -0.292 N ATOM 5 H LIG 1 0.907 -0.195 2.127 0.00 0.00 +0.154 HD ATOM 6 C LIG 1 1.179 0.317 0.112 0.00 0.00 +0.098 C ATOM 7 C LIG 1 -0.065 0.333 -0.375 0.00 0.00 +0.058 C ATOM 8 C LIG 1 2.421 0.604 -0.663 0.00 0.00 +0.267 C ATOM 9 O LIG 1 2.473 0.904 -1.842 0.00 0.00 -0.268 OA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -1.262 0.058 0.365 0.00 0.00 +0.095 A ATOM 11 C LIG 1 -2.580 0.076 -0.185 0.00 0.00 +0.027 A ATOM 12 C LIG 1 -3.417 -0.244 0.878 0.00 0.00 +0.066 A ATOM 13 C LIG 1 -4.808 -0.334 0.760 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -5.358 -0.083 -0.500 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -4.548 0.241 -1.588 0.00 0.00 +0.001 A ATOM 16 N LIG 1 -2.585 -0.427 1.947 0.00 0.00 -0.276 N ATOM 17 H LIG 1 -2.849 -0.673 2.895 0.00 0.00 +0.189 HD ATOM 18 C LIG 1 -3.157 0.325 -1.447 0.00 0.00 +0.012 A ATOM 19 N LIG 1 -1.281 -0.252 1.673 0.00 0.00 -0.173 NA ENDBRANCH 7 10 BRANCH 1 20 ATOM 20 C LIG 1 4.834 0.634 -0.122 0.00 0.00 +0.204 C BRANCH 20 22 ATOM 21 C LIG 1 5.922 -1.710 -0.802 0.00 0.00 +0.005 C ATOM 22 C LIG 1 5.434 -0.655 -0.497 0.00 0.00 -0.086 C ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 3