REMARK Name = BDB007133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.988 1.938 -3.588 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.217 1.276 -3.017 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.226 0.185 -2.095 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.559 -0.147 -1.841 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.901 -1.234 -1.017 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.872 -1.967 -0.417 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.464 -1.631 -0.624 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.343 0.766 -2.529 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.798 -0.568 -1.477 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.538 1.575 -3.315 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.076 2.576 -4.283 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.512 -2.442 0.055 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -2.681 -1.783 0.363 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -2.728 -0.779 0.260 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -1.301 -3.616 0.337 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -3.765 -2.432 1.080 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -3.448 -2.568 2.573 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.058 -1.675 0.822 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -5.315 -0.424 1.411 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -6.501 0.281 1.146 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -7.434 -0.284 0.266 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -7.187 -1.517 -0.336 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -6.006 -2.206 -0.063 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -6.740 1.629 1.804 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -8.003 1.624 2.668 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -6.793 2.754 0.767 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 3.810 0.802 -2.513 0.00 0.00 +0.158 C BRANCH 27 28 ATOM 28 C LIG 1 4.428 0.947 -1.140 0.00 0.00 -0.006 A ATOM 29 C LIG 1 4.212 2.048 -0.298 0.00 0.00 +0.046 A ATOM 30 CL LIG 1 3.240 3.396 -0.760 0.00 0.00 -0.083 Cl ATOM 31 C LIG 1 4.815 2.105 0.964 0.00 0.00 +0.024 A ATOM 32 C LIG 1 5.661 1.082 1.397 0.00 0.00 +0.047 A ATOM 33 C LIG 1 5.930 0.007 0.556 0.00 0.00 +0.122 A ATOM 34 C LIG 1 5.309 -0.060 -0.694 0.00 0.00 +0.052 A BRANCH 33 35 ATOM 35 O LIG 1 6.730 -1.056 0.864 0.00 0.00 -0.478 OA BRANCH 35 36 ATOM 36 C LIG 1 7.859 -0.797 1.707 0.00 0.00 +0.278 C ATOM 37 C LIG 1 7.571 -1.377 3.089 0.00 0.00 +0.064 C BRANCH 36 38 ATOM 38 C LIG 1 9.097 -1.466 1.110 0.00 0.00 +0.346 C ATOM 39 O LIG 1 10.012 -1.991 1.729 0.00 0.00 -0.247 OA BRANCH 38 40 ATOM 40 O LIG 1 9.165 -1.386 -0.237 0.00 0.00 -0.478 OA ATOM 41 H LIG 1 9.995 -1.855 -0.462 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 10