REMARK Name = BDB064635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.655 0.659 -0.750 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.481 0.800 -0.037 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.193 0.040 -0.103 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -2.646 1.356 -0.549 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.874 -1.567 -1.720 0.00 0.00 +0.224 C ATOM 6 N LIG 1 -2.925 -0.780 -2.335 0.00 0.00 -0.287 N ATOM 7 C LIG 1 -1.594 -0.422 -1.845 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -0.878 0.117 -3.082 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -2.007 0.780 -3.873 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -3.215 -0.122 -3.600 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -4.955 -1.802 -2.270 0.00 0.00 -0.275 OA BRANCH 9 12 ATOM 12 O LIG 1 -1.670 0.864 -5.249 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -1.592 -0.037 -5.605 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -3.579 -2.144 -0.342 0.00 0.00 +0.173 C BRANCH 14 19 ATOM 15 C LIG 1 -6.647 0.522 2.749 0.00 0.00 +0.069 C ATOM 16 C LIG 1 -5.536 -0.190 2.079 0.00 0.00 +0.081 A ATOM 17 N LIG 1 -4.294 -0.142 2.588 0.00 0.00 -0.083 NA ATOM 18 O LIG 1 -3.508 -0.878 1.716 0.00 0.00 -0.359 OA ATOM 19 C LIG 1 -4.276 -1.348 0.693 0.00 0.00 +0.146 A ATOM 20 C LIG 1 -5.578 -0.954 0.891 0.00 0.00 +0.071 A ENDBRANCH 14 19 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 21 ATOM 21 C LIG 1 -0.508 1.426 1.284 0.00 0.00 +0.163 C BRANCH 21 22 ATOM 22 C LIG 1 -0.660 0.285 2.307 0.00 0.00 +0.231 C ATOM 23 O LIG 1 -0.296 -0.869 2.088 0.00 0.00 -0.274 OA ATOM 24 N LIG 1 -1.197 0.628 3.516 0.00 0.00 -0.328 N ATOM 25 H LIG 1 -1.961 1.296 3.493 0.00 0.00 +0.145 HD ATOM 26 H LIG 1 -1.419 -0.182 4.084 0.00 0.00 +0.145 HD ENDBRANCH 21 22 BRANCH 21 27 ATOM 27 C LIG 1 0.734 2.281 1.574 0.00 0.00 +0.067 C BRANCH 27 28 ATOM 28 C LIG 1 2.055 1.612 1.261 0.00 0.00 -0.045 A ATOM 29 C LIG 1 2.671 1.813 0.021 0.00 0.00 +0.004 A ATOM 30 C LIG 1 3.870 1.163 -0.291 0.00 0.00 +0.009 A ATOM 31 C LIG 1 4.484 0.292 0.624 0.00 0.00 -0.018 A ATOM 32 C LIG 1 3.866 0.111 1.869 0.00 0.00 +0.009 A ATOM 33 C LIG 1 2.668 0.762 2.187 0.00 0.00 +0.004 A BRANCH 31 34 ATOM 34 C LIG 1 5.730 -0.417 0.280 0.00 0.00 -0.018 A ATOM 35 C LIG 1 5.826 -1.814 0.413 0.00 0.00 +0.008 A ATOM 36 C LIG 1 7.001 -2.493 0.072 0.00 0.00 +0.001 A ATOM 37 C LIG 1 8.102 -1.787 -0.410 0.00 0.00 +0.000 A ATOM 38 C LIG 1 8.031 -0.403 -0.544 0.00 0.00 +0.001 A ATOM 39 C LIG 1 6.855 0.275 -0.204 0.00 0.00 +0.008 A ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 21 27 ENDBRANCH 2 21 TORSDOF 9