REMARK Name = BDB041434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.487 -0.842 1.450 0.00 0.00 -0.019 A ATOM 2 C LIG 1 0.037 -2.111 1.895 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -1.176 -2.656 1.461 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -1.423 -3.941 2.054 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.418 -4.342 2.899 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -1.960 -1.920 0.539 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -1.546 -0.667 0.067 0.00 0.00 -0.039 A ATOM 8 S LIG 1 0.831 -3.191 2.991 0.00 0.00 -0.096 S ATOM 9 C LIG 1 -0.339 -0.147 0.541 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 1.811 -0.222 1.863 0.00 0.00 +0.121 C BRANCH 10 13 ATOM 11 C LIG 1 4.219 -0.465 -1.099 0.00 0.00 +0.007 C ATOM 12 C LIG 1 2.880 -0.401 -0.332 0.00 0.00 +0.089 C ATOM 13 N LIG 1 2.956 -0.747 1.096 0.00 0.00 -0.292 NA ATOM 14 C LIG 1 4.226 -0.403 1.751 0.00 0.00 +0.140 C ATOM 15 C LIG 1 4.659 1.038 1.618 0.00 0.00 +0.062 A ATOM 16 C LIG 1 5.048 1.576 0.388 0.00 0.00 -0.024 A ATOM 17 C LIG 1 5.468 2.916 0.381 0.00 0.00 +0.010 A ATOM 18 C LIG 1 5.460 3.666 1.552 0.00 0.00 +0.067 A ATOM 19 C LIG 1 5.033 3.046 2.707 0.00 0.00 +0.213 A ATOM 20 N LIG 1 4.638 1.767 2.767 0.00 0.00 -0.216 NA ATOM 21 C LIG 1 5.066 0.820 -0.920 0.00 0.00 +0.041 C BRANCH 11 23 ATOM 22 C LIG 1 5.191 -0.909 -3.437 0.00 0.00 +0.004 C ATOM 23 C LIG 1 3.933 -0.723 -2.600 0.00 0.00 +0.002 C ENDBRANCH 11 23 BRANCH 19 24 ATOM 24 O LIG 1 4.988 3.714 3.894 0.00 0.00 -0.492 OA ATOM 25 H LIG 1 5.303 4.615 3.741 0.00 0.00 +0.294 HD ENDBRANCH 19 24 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 7 26 ATOM 26 C LIG 1 -2.350 0.118 -0.973 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 -3.806 0.360 -0.522 0.00 0.00 -0.034 A ATOM 28 C LIG 1 -4.958 -0.361 -0.951 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -4.933 -1.492 -1.937 0.00 0.00 +0.046 C ATOM 30 C LIG 1 -6.208 0.030 -0.404 0.00 0.00 +0.116 A ATOM 31 N LIG 1 -7.466 -0.470 -0.645 0.00 0.00 -0.129 NA ATOM 32 N LIG 1 -8.334 0.202 0.098 0.00 0.00 -0.065 NA ATOM 33 N LIG 1 -7.638 1.113 0.800 0.00 0.00 -0.247 N ATOM 34 C LIG 1 -8.338 1.985 1.706 0.00 0.00 +0.175 C ATOM 35 C LIG 1 -6.299 1.056 0.526 0.00 0.00 +0.089 A ATOM 36 C LIG 1 -5.193 1.764 0.983 0.00 0.00 +0.030 A ATOM 37 C LIG 1 -3.960 1.392 0.442 0.00 0.00 +0.007 A ENDBRANCH 26 27 BRANCH 26 38 ATOM 38 C LIG 1 -2.120 -0.442 -2.387 0.00 0.00 +0.133 C BRANCH 38 39 ATOM 39 C LIG 1 -0.717 -0.194 -2.878 0.00 0.00 +0.306 C ATOM 40 O LIG 1 0.019 0.736 -2.592 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 -0.325 -1.120 -3.777 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 0.583 -0.850 -4.027 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 26 38 ENDBRANCH 7 26 TORSDOF 9