REMARK Name = BDB060310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.499 0.621 -0.301 0.00 0.00 +0.219 A ATOM 2 N LIG 1 0.159 1.805 -0.478 0.00 0.00 -0.245 N ATOM 3 H LIG 1 -0.221 2.730 -0.626 0.00 0.00 +0.192 HD ATOM 4 N LIG 1 1.488 1.647 -0.440 0.00 0.00 -0.135 NA ATOM 5 C LIG 1 1.601 0.331 -0.237 0.00 0.00 +0.240 A ATOM 6 N LIG 1 0.399 -0.319 -0.146 0.00 0.00 -0.180 NA ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 -2.022 -1.790 -0.151 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.524 -0.675 -0.186 0.00 0.00 +0.250 C ATOM 9 N LIG 1 -1.871 0.538 -0.293 0.00 0.00 -0.251 N ATOM 10 H LIG 1 -2.412 1.377 -0.440 0.00 0.00 +0.158 HD BRANCH 8 11 ATOM 11 C LIG 1 -4.010 -0.572 -0.162 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -4.758 -1.551 -0.828 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -6.151 -1.484 -0.833 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -6.801 -0.447 -0.165 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -6.062 0.520 0.518 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -4.666 0.458 0.525 0.00 0.00 +0.013 A ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 5 17 ATOM 17 N LIG 1 2.695 -0.438 -0.111 0.00 0.00 -0.282 N ATOM 18 H LIG 1 2.480 -1.417 0.032 0.00 0.00 +0.155 HD BRANCH 17 19 ATOM 19 C LIG 1 4.071 -0.154 -0.146 0.00 0.00 +0.034 A ATOM 20 C LIG 1 4.982 -1.211 0.024 0.00 0.00 +0.023 A ATOM 21 C LIG 1 6.363 -0.993 0.000 0.00 0.00 +0.002 A ATOM 22 C LIG 1 6.860 0.292 -0.194 0.00 0.00 +0.000 A ATOM 23 C LIG 1 5.975 1.353 -0.363 0.00 0.00 +0.002 A ATOM 24 C LIG 1 4.594 1.129 -0.339 0.00 0.00 +0.023 A ENDBRANCH 17 19 ENDBRANCH 5 17 TORSDOF 4