REMARK Name = BDB057410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.158 -0.754 0.062 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -2.397 0.201 -0.626 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -1.165 0.617 -0.113 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -0.683 0.062 1.076 0.00 0.00 +0.128 A ATOM 5 C LIG 1 -1.441 -0.880 1.771 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -2.671 -1.298 1.258 0.00 0.00 +0.016 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -5.160 -0.409 -1.292 0.00 0.00 -0.325 N ATOM 8 H LIG 1 -4.956 0.578 -1.361 0.00 0.00 +0.145 HD ATOM 9 H LIG 1 -6.104 -0.701 -1.512 0.00 0.00 +0.145 HD ATOM 10 C LIG 1 -4.471 -1.233 -0.445 0.00 0.00 +0.242 C ATOM 11 O LIG 1 -4.942 -2.308 -0.096 0.00 0.00 -0.270 OA ENDBRANCH 1 10 BRANCH 4 12 ATOM 12 O LIG 1 0.506 0.456 1.645 0.00 0.00 -0.456 OA BRANCH 12 13 ATOM 13 C LIG 1 1.617 0.464 0.831 0.00 0.00 +0.128 A ATOM 14 C LIG 1 2.448 1.582 0.906 0.00 0.00 +0.047 A ATOM 15 C LIG 1 3.608 1.640 0.132 0.00 0.00 +0.014 A ATOM 16 C LIG 1 3.939 0.568 -0.703 0.00 0.00 +0.014 A ATOM 17 C LIG 1 3.120 -0.564 -0.763 0.00 0.00 +0.014 A ATOM 18 C LIG 1 1.959 -0.618 0.013 0.00 0.00 +0.047 A BRANCH 16 19 ATOM 19 C LIG 1 5.164 0.619 -1.525 0.00 0.00 +0.258 C ATOM 20 O LIG 1 5.910 1.589 -1.522 0.00 0.00 -0.296 OA ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 4 12 TORSDOF 4