REMARK Name = BDB018562 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.292 -2.365 -1.104 0.00 0.00 -0.002 A ATOM 2 C LIG 1 0.492 -2.338 0.143 0.00 0.00 +0.009 A ATOM 3 C LIG 1 1.329 -3.369 0.380 0.00 0.00 +0.098 A ATOM 4 N LIG 1 1.461 -4.444 -0.481 0.00 0.00 -0.318 N ATOM 5 C LIG 1 2.396 -5.502 -0.131 0.00 0.00 +0.152 C ATOM 6 C LIG 1 0.741 -4.538 -1.663 0.00 0.00 +0.252 A ATOM 7 O LIG 1 0.810 -5.465 -2.465 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.172 -3.404 -1.951 0.00 0.00 +0.079 A ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 -2.795 0.800 -2.347 0.00 0.00 +0.215 A ATOM 10 N LIG 1 -1.463 0.991 -2.354 0.00 0.00 -0.221 NA ATOM 11 C LIG 1 -0.695 -0.050 -1.954 0.00 0.00 +0.123 A ATOM 12 C LIG 1 -1.195 -1.284 -1.545 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -2.581 -1.449 -1.558 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -3.393 -0.392 -1.965 0.00 0.00 +0.068 A BRANCH 9 15 ATOM 15 O LIG 1 -3.653 1.805 -2.730 0.00 0.00 -0.474 OA BRANCH 15 17 ATOM 16 C LIG 1 -2.306 3.047 -4.397 0.00 0.00 +0.051 C ATOM 17 C LIG 1 -3.115 3.080 -3.103 0.00 0.00 +0.169 C ATOM 18 C LIG 1 -2.423 3.817 -1.959 0.00 0.00 +0.051 C ENDBRANCH 15 17 ENDBRANCH 9 15 ENDBRANCH 1 12 BRANCH 2 19 ATOM 19 C LIG 1 0.387 -1.260 1.083 0.00 0.00 +0.022 A ATOM 20 C LIG 1 1.438 -0.563 1.637 0.00 0.00 +0.123 A ATOM 21 N LIG 1 0.907 0.372 2.500 0.00 0.00 -0.238 N ATOM 22 N LIG 1 -0.453 0.341 2.462 0.00 0.00 -0.174 NA ATOM 23 C LIG 1 -0.755 -0.660 1.635 0.00 0.00 +0.143 A BRANCH 21 24 ATOM 24 C LIG 1 1.568 1.328 3.334 0.00 0.00 +0.084 A ATOM 25 C LIG 1 2.914 1.225 3.746 0.00 0.00 +0.095 A ATOM 26 C LIG 1 3.467 2.261 4.527 0.00 0.00 +0.060 A ATOM 27 CL LIG 1 5.114 2.231 5.068 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 2.700 3.365 4.913 0.00 0.00 +0.021 A ATOM 29 C LIG 1 1.365 3.446 4.540 0.00 0.00 +0.004 A ATOM 30 C LIG 1 0.802 2.436 3.763 0.00 0.00 +0.029 A BRANCH 25 31 ATOM 31 C LIG 1 3.721 0.067 3.491 0.00 0.00 +0.103 C ATOM 32 N LIG 1 4.359 -0.880 3.279 0.00 0.00 -0.191 NA ENDBRANCH 25 31 ENDBRANCH 21 24 ENDBRANCH 2 19 TORSDOF 6