REMARK Name = BDB032062 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.279 -0.267 1.504 0.00 0.00 +0.131 C ENDROOT BRANCH 1 9 ATOM 2 C LIG 1 5.867 -0.405 -2.042 0.00 0.00 +0.152 C ATOM 3 N LIG 1 4.736 -0.201 -1.153 0.00 0.00 -0.318 N ATOM 4 C LIG 1 4.805 0.837 -0.193 0.00 0.00 +0.260 A ATOM 5 O LIG 1 5.762 1.594 -0.059 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 3.615 0.940 0.644 0.00 0.00 +0.064 A ATOM 7 C LIG 1 3.261 1.808 1.703 0.00 0.00 +0.033 A ATOM 8 C LIG 1 1.999 1.437 2.126 0.00 0.00 +0.087 A ATOM 9 N LIG 1 1.575 0.375 1.356 0.00 0.00 -0.346 N ATOM 10 C LIG 1 2.561 0.070 0.458 0.00 0.00 +0.056 A ATOM 11 C LIG 1 2.531 -0.955 -0.510 0.00 0.00 +0.044 A ATOM 12 C LIG 1 3.629 -1.050 -1.282 0.00 0.00 +0.091 A ENDBRANCH 1 9 BRANCH 1 13 ATOM 13 C LIG 1 -0.757 0.353 0.577 0.00 0.00 +0.117 C BRANCH 13 14 ATOM 14 C LIG 1 -2.097 -0.338 0.716 0.00 0.00 +0.219 C ATOM 15 N LIG 1 -3.061 0.250 -0.082 0.00 0.00 -0.284 N ATOM 16 H LIG 1 -2.779 1.048 -0.646 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 -2.256 -1.304 1.452 0.00 0.00 -0.275 OA BRANCH 15 18 ATOM 18 C LIG 1 -4.423 -0.121 -0.218 0.00 0.00 +0.055 A ATOM 19 C LIG 1 -5.232 0.617 -1.094 0.00 0.00 +0.080 A ATOM 20 CL LIG 1 -4.613 1.951 -1.999 0.00 0.00 -0.080 Cl ATOM 21 C LIG 1 -6.566 0.260 -1.232 0.00 0.00 +0.132 A ATOM 22 N LIG 1 -7.141 -0.768 -0.568 0.00 0.00 -0.262 NA ATOM 23 C LIG 1 -6.344 -1.464 0.270 0.00 0.00 +0.112 A ATOM 24 C LIG 1 -5.000 -1.183 0.476 0.00 0.00 +0.044 A ENDBRANCH 15 18 ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 4