REMARK Name = BDB054973 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.022 -0.661 -0.201 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -1.106 0.078 0.189 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -1.083 0.980 0.631 0.00 0.00 +0.170 HD ATOM 4 C LIG 1 -2.229 -0.639 -0.136 0.00 0.00 +0.163 A ATOM 5 N LIG 1 -1.833 -1.763 -0.702 0.00 0.00 -0.128 NA ATOM 6 N LIG 1 -0.457 -1.775 -0.740 0.00 0.00 -0.113 NA ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.611 -0.218 0.104 0.00 0.00 +0.019 A ATOM 8 C LIG 1 -3.936 0.981 0.757 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -5.272 1.343 0.963 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -6.299 0.513 0.522 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -5.995 -0.681 -0.126 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.661 -1.042 -0.332 0.00 0.00 +0.011 A ENDBRANCH 4 7 BRANCH 1 15 ATOM 13 O LIG 1 2.361 -2.129 -0.751 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.358 -0.976 -0.341 0.00 0.00 +0.250 C ATOM 15 N LIG 1 1.260 -0.203 -0.016 0.00 0.00 -0.251 N ATOM 16 H LIG 1 1.402 0.688 0.432 0.00 0.00 +0.158 HD BRANCH 14 17 ATOM 17 C LIG 1 3.670 -0.311 -0.105 0.00 0.00 +0.037 A ATOM 18 C LIG 1 4.731 -1.082 0.384 0.00 0.00 +0.013 A ATOM 19 C LIG 1 5.972 -0.491 0.624 0.00 0.00 +0.001 A ATOM 20 C LIG 1 6.159 0.867 0.366 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.111 1.635 -0.141 0.00 0.00 +0.001 A ATOM 22 C LIG 1 3.866 1.049 -0.381 0.00 0.00 +0.013 A ENDBRANCH 14 17 ENDBRANCH 1 15 TORSDOF 3