REMARK Name = BDB055056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.603 0.318 -0.022 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.207 0.345 0.102 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -0.456 -0.835 -0.009 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.122 -2.041 -0.236 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.516 -2.075 -0.343 0.00 0.00 +0.003 A ATOM 6 C LIG 1 -3.256 -0.900 -0.232 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -2.819 2.743 -0.196 0.00 0.00 -0.325 N ATOM 8 H LIG 1 -1.955 2.791 -0.716 0.00 0.00 +0.145 HD ATOM 9 H LIG 1 -3.435 3.544 -0.248 0.00 0.00 +0.145 HD ATOM 10 C LIG 1 -3.427 1.550 0.086 0.00 0.00 +0.242 C ATOM 11 O LIG 1 -4.615 1.509 0.377 0.00 0.00 -0.270 OA ENDBRANCH 1 10 BRANCH 3 12 ATOM 12 N LIG 1 0.944 -0.715 0.127 0.00 0.00 -0.282 N ATOM 13 H LIG 1 1.276 0.231 0.299 0.00 0.00 +0.155 HD ATOM 14 C LIG 1 1.883 -1.707 0.051 0.00 0.00 +0.241 C ATOM 15 O LIG 1 1.667 -2.897 -0.165 0.00 0.00 -0.270 OA BRANCH 14 16 ATOM 16 C LIG 1 3.312 -1.319 0.250 0.00 0.00 +0.074 C ATOM 17 C LIG 1 3.965 -0.168 0.467 0.00 0.00 +0.096 C BRANCH 17 18 ATOM 18 C LIG 1 3.416 1.186 0.582 0.00 0.00 +0.330 C ATOM 19 O LIG 1 2.251 1.521 0.493 0.00 0.00 -0.246 OA BRANCH 18 20 ATOM 20 O LIG 1 4.402 2.065 0.812 0.00 0.00 -0.478 OA ATOM 21 H LIG 1 3.961 2.937 0.881 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 16 ENDBRANCH 3 12 TORSDOF 5