REMARK Name = BDB028838 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.760 -0.087 -0.107 0.00 0.00 +0.030 A ATOM 2 C LIG 1 -0.956 -0.056 -1.258 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.305 -0.664 -1.292 0.00 0.00 +0.016 A ATOM 4 C LIG 1 0.800 -1.314 -0.164 0.00 0.00 +0.009 A ATOM 5 C LIG 1 0.013 -1.369 0.986 0.00 0.00 +0.016 A ATOM 6 C LIG 1 -1.246 -0.755 1.013 0.00 0.00 +0.024 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -3.018 0.541 -0.119 0.00 0.00 -0.330 N BRANCH 7 9 ATOM 8 C LIG 1 -4.532 -1.356 -0.716 0.00 0.00 +0.024 C ATOM 9 C LIG 1 -3.959 -0.003 -1.119 0.00 0.00 +0.102 C ENDBRANCH 7 9 BRANCH 7 10 ATOM 10 C LIG 1 -3.567 0.979 1.175 0.00 0.00 +0.102 C ATOM 11 C LIG 1 -4.578 2.106 1.011 0.00 0.00 +0.024 C ENDBRANCH 7 10 ENDBRANCH 1 7 BRANCH 4 12 ATOM 12 S LIG 1 2.402 -2.092 -0.174 0.00 0.00 -0.112 S BRANCH 12 13 ATOM 13 C LIG 1 3.477 -0.613 -0.352 0.00 0.00 +0.138 C ATOM 14 C LIG 1 4.863 -1.046 -0.832 0.00 0.00 +0.233 C ATOM 15 O LIG 1 5.057 -1.875 -1.720 0.00 0.00 -0.274 OA ATOM 16 N LIG 1 5.937 -0.381 -0.285 0.00 0.00 -0.255 N ATOM 17 H LIG 1 6.843 -0.652 -0.644 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 5.913 0.780 0.443 0.00 0.00 +0.219 C ATOM 19 O LIG 1 6.939 1.419 0.657 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 4.554 1.266 0.881 0.00 0.00 +0.098 C ATOM 21 C LIG 1 3.572 0.110 0.992 0.00 0.00 +0.033 C ENDBRANCH 12 13 ENDBRANCH 4 12 TORSDOF 5