REMARK Name = BDB041364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.579 -0.971 -1.733 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.389 -2.052 -2.628 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.651 -2.971 -2.462 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.644 -3.974 -3.490 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.375 -3.806 -4.395 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.534 -2.810 -1.363 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.394 -1.749 -0.459 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -1.333 -2.450 -4.025 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.331 -0.857 -0.659 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.700 0.045 -1.866 0.00 0.00 +0.121 C BRANCH 10 19 ATOM 11 C LIG 1 -4.482 -0.881 0.578 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -4.912 0.405 1.057 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -4.720 1.527 0.309 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -4.317 1.622 -1.023 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -4.115 2.820 -1.641 0.00 0.00 -0.213 NA ATOM 16 C LIG 1 -4.338 3.937 -0.933 0.00 0.00 +0.213 A ATOM 17 C LIG 1 -4.758 3.945 0.381 0.00 0.00 +0.070 A ATOM 18 C LIG 1 -4.100 0.406 -1.888 0.00 0.00 +0.144 C ATOM 19 N LIG 1 -3.014 -0.493 -1.469 0.00 0.00 -0.289 NA ATOM 20 C LIG 1 -4.950 2.716 1.004 0.00 0.00 +0.053 A ATOM 21 C LIG 1 -3.064 -0.861 -0.042 0.00 0.00 +0.129 C BRANCH 11 23 ATOM 22 C LIG 1 -3.601 -1.444 2.935 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.539 -1.828 1.796 0.00 0.00 +0.042 C ENDBRANCH 11 23 BRANCH 16 24 ATOM 24 O LIG 1 -4.120 5.097 -1.614 0.00 0.00 -0.492 OA ATOM 25 H LIG 1 -4.317 5.835 -1.021 0.00 0.00 +0.294 HD ENDBRANCH 16 24 ENDBRANCH 10 19 ENDBRANCH 1 10 BRANCH 7 26 ATOM 26 C LIG 1 2.307 -1.546 0.750 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 2.979 -0.164 0.862 0.00 0.00 -0.034 A ATOM 28 C LIG 1 3.623 0.516 -0.213 0.00 0.00 -0.017 A ATOM 29 C LIG 1 3.670 -0.005 -1.622 0.00 0.00 +0.046 C ATOM 30 C LIG 1 4.211 1.772 0.074 0.00 0.00 +0.116 A ATOM 31 N LIG 1 4.877 2.642 -0.755 0.00 0.00 -0.129 NA ATOM 32 N LIG 1 5.257 3.692 -0.042 0.00 0.00 -0.065 NA ATOM 33 N LIG 1 4.837 3.494 1.219 0.00 0.00 -0.247 N ATOM 34 C LIG 1 5.115 4.492 2.216 0.00 0.00 +0.175 C ATOM 35 C LIG 1 4.172 2.305 1.356 0.00 0.00 +0.089 A ATOM 36 C LIG 1 3.563 1.660 2.428 0.00 0.00 +0.030 A ATOM 37 C LIG 1 2.975 0.422 2.152 0.00 0.00 +0.007 A ENDBRANCH 26 27 BRANCH 26 38 ATOM 38 C LIG 1 3.259 -2.689 1.157 0.00 0.00 +0.133 C BRANCH 38 39 ATOM 39 C LIG 1 4.545 -2.764 0.387 0.00 0.00 +0.306 C ATOM 40 O LIG 1 4.728 -3.360 -0.661 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 5.555 -2.102 0.983 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 6.309 -2.195 0.364 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 26 38 ENDBRANCH 7 26 TORSDOF 9