REMARK Name = BDB057409 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.412 -0.393 -0.216 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -2.351 -0.571 -1.114 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -1.157 0.134 -0.944 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -1.014 1.001 0.141 0.00 0.00 +0.128 A ATOM 5 C LIG 1 -2.069 1.190 1.034 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.265 0.487 0.865 0.00 0.00 +0.016 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -5.816 -0.679 0.105 0.00 0.00 -0.325 N ATOM 8 H LIG 1 -5.902 0.281 0.406 0.00 0.00 +0.145 HD ATOM 9 H LIG 1 -6.666 -1.152 -0.174 0.00 0.00 +0.145 HD ATOM 10 C LIG 1 -4.662 -1.167 -0.442 0.00 0.00 +0.242 C ATOM 11 O LIG 1 -4.674 -2.186 -1.121 0.00 0.00 -0.270 OA ENDBRANCH 1 10 BRANCH 4 12 ATOM 12 O LIG 1 0.121 1.752 0.349 0.00 0.00 -0.456 OA BRANCH 12 13 ATOM 13 C LIG 1 1.332 1.103 0.271 0.00 0.00 +0.128 A ATOM 14 C LIG 1 2.347 1.746 -0.440 0.00 0.00 +0.047 A ATOM 15 C LIG 1 3.614 1.162 -0.531 0.00 0.00 +0.018 A ATOM 16 C LIG 1 3.870 -0.060 0.104 0.00 0.00 +0.059 A ATOM 17 C LIG 1 2.852 -0.689 0.835 0.00 0.00 +0.018 A ATOM 18 C LIG 1 1.587 -0.105 0.925 0.00 0.00 +0.047 A BRANCH 16 19 ATOM 19 C LIG 1 5.197 -0.719 0.039 0.00 0.00 +0.337 C ATOM 20 O LIG 1 5.498 -1.770 0.572 0.00 0.00 -0.245 OA BRANCH 19 21 ATOM 21 O LIG 1 6.087 -0.027 -0.695 0.00 0.00 -0.477 OA ATOM 22 H LIG 1 6.901 -0.573 -0.650 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 4 12 TORSDOF 5