REMARK Name = BDB041138 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.702 -1.175 -1.371 0.00 0.00 +0.165 A ATOM 2 C LIG 1 -2.010 -2.174 -2.297 0.00 0.00 +0.178 A ATOM 3 C LIG 1 -3.328 -2.223 -2.701 0.00 0.00 +0.162 A ATOM 4 N LIG 1 -4.282 -1.377 -2.266 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 -3.881 -0.431 -1.399 0.00 0.00 +0.169 A ATOM 6 N LIG 1 -2.627 -0.302 -0.926 0.00 0.00 -0.209 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.883 0.488 -0.890 0.00 0.00 +0.102 A ATOM 8 C LIG 1 -5.239 0.529 0.460 0.00 0.00 +0.062 A ATOM 9 N LIG 1 -6.173 1.403 0.922 0.00 0.00 -0.239 NA ATOM 10 C LIG 1 -6.749 2.218 0.032 0.00 0.00 +0.225 A ATOM 11 N LIG 1 -6.489 2.259 -1.274 0.00 0.00 -0.201 NA ATOM 12 C LIG 1 -5.554 1.387 -1.707 0.00 0.00 +0.229 A BRANCH 8 13 ATOM 13 C LIG 1 -4.606 -0.391 1.491 0.00 0.00 +0.039 C ATOM 14 C LIG 1 -4.911 -1.873 1.473 0.00 0.00 +0.010 C ATOM 15 C LIG 1 -5.454 -1.017 2.576 0.00 0.00 +0.010 C ENDBRANCH 8 13 BRANCH 12 16 ATOM 16 O LIG 1 -5.211 1.414 -3.049 0.00 0.00 -0.479 OA ATOM 17 C LIG 1 -5.982 2.324 -3.824 0.00 0.00 +0.279 C ENDBRANCH 12 16 ENDBRANCH 5 7 BRANCH 1 18 ATOM 18 N LIG 1 -0.364 -1.030 -0.955 0.00 0.00 -0.322 N ATOM 19 H LIG 1 0.048 -1.951 -0.832 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 -0.168 -0.165 0.198 0.00 0.00 +0.138 C BRANCH 20 24 ATOM 21 C LIG 1 4.010 -0.311 1.336 0.00 0.00 +0.121 A ATOM 22 C LIG 1 3.032 -0.896 2.146 0.00 0.00 +0.046 A ATOM 23 C LIG 1 1.682 -0.853 1.787 0.00 0.00 +0.009 A ATOM 24 C LIG 1 1.287 -0.214 0.606 0.00 0.00 -0.030 A ATOM 25 C LIG 1 2.270 0.369 -0.205 0.00 0.00 +0.009 A ATOM 26 C LIG 1 3.622 0.324 0.158 0.00 0.00 +0.046 A BRANCH 21 27 ATOM 27 O LIG 1 5.283 -0.433 1.816 0.00 0.00 -0.490 OA BRANCH 27 28 ATOM 28 C LIG 1 6.369 0.084 1.042 0.00 0.00 +0.257 C BRANCH 28 29 ATOM 29 C LIG 1 6.616 1.570 1.327 0.00 0.00 +0.200 C BRANCH 29 30 ATOM 30 O LIG 1 7.071 1.794 2.666 0.00 0.00 -0.377 OA BRANCH 30 32 ATOM 31 C LIG 1 9.214 2.909 2.525 0.00 0.00 +0.034 C ATOM 32 C LIG 1 8.473 1.624 2.851 0.00 0.00 +0.156 C ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 21 27 ENDBRANCH 20 24 ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 2 33 ATOM 33 O LIG 1 -1.008 -3.020 -2.684 0.00 0.00 -0.490 OA ATOM 34 C LIG 1 -1.300 -3.910 -3.753 0.00 0.00 +0.277 C ENDBRANCH 2 33 TORSDOF 12