REMARK Name = BDB059807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.460 -1.347 0.261 0.00 0.00 +0.041 A ATOM 2 C LIG 1 -0.301 -1.577 -0.494 0.00 0.00 +0.060 A ATOM 3 C LIG 1 0.844 -0.808 -0.278 0.00 0.00 +0.142 A ATOM 4 C LIG 1 0.847 0.175 0.736 0.00 0.00 +0.076 A ATOM 5 C LIG 1 -0.303 0.383 1.501 0.00 0.00 +0.028 A ATOM 6 C LIG 1 -1.454 -0.374 1.266 0.00 0.00 +0.015 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 -3.873 -1.564 0.190 0.00 0.00 -0.279 N ATOM 8 H LIG 1 -3.875 -0.578 0.430 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -2.660 -2.189 -0.015 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -2.489 -3.330 -0.428 0.00 0.00 -0.270 OA BRANCH 7 12 ATOM 11 C LIG 1 -6.251 -1.237 0.243 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -5.165 -2.111 0.048 0.00 0.00 +0.076 A ATOM 13 C LIG 1 -5.421 -3.446 -0.270 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -6.740 -3.907 -0.365 0.00 0.00 +0.017 A ATOM 15 C LIG 1 -7.807 -3.038 -0.120 0.00 0.00 +0.062 A ATOM 16 C LIG 1 -7.569 -1.693 0.177 0.00 0.00 +0.062 A BRANCH 15 17 ATOM 17 C LIG 1 -9.186 -3.565 -0.206 0.00 0.00 +0.337 C ATOM 18 O LIG 1 -9.555 -4.326 -1.083 0.00 0.00 -0.245 OA BRANCH 17 19 ATOM 19 O LIG 1 -9.973 -3.140 0.804 0.00 0.00 -0.477 OA ATOM 20 H LIG 1 -9.497 -2.696 1.530 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 15 17 BRANCH 11 21 ATOM 21 O LIG 1 -5.975 0.071 0.568 0.00 0.00 -0.490 OA BRANCH 21 22 ATOM 22 C LIG 1 -6.449 0.980 -0.439 0.00 0.00 +0.232 C BRANCH 22 24 ATOM 23 C LIG 1 -6.231 2.929 1.162 0.00 0.00 +0.010 C ATOM 24 C LIG 1 -5.812 2.355 -0.194 0.00 0.00 +0.020 C ATOM 25 C LIG 1 -6.181 3.322 -1.317 0.00 0.00 +0.010 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 11 21 ENDBRANCH 7 12 ENDBRANCH 1 9 BRANCH 4 26 ATOM 26 N LIG 1 2.051 0.889 0.925 0.00 0.00 -0.279 N ATOM 27 H LIG 1 2.785 0.600 0.287 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 2.300 1.926 1.799 0.00 0.00 +0.248 C ATOM 29 O LIG 1 1.479 2.473 2.527 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 3.703 2.436 1.798 0.00 0.00 +0.041 A ATOM 31 C LIG 1 4.793 1.613 1.500 0.00 0.00 +0.060 A ATOM 32 C LIG 1 6.083 2.148 1.493 0.00 0.00 +0.142 A ATOM 33 C LIG 1 6.321 3.494 1.821 0.00 0.00 +0.067 A ATOM 34 C LIG 1 5.228 4.289 2.177 0.00 0.00 +0.027 A ATOM 35 C LIG 1 3.928 3.773 2.147 0.00 0.00 +0.015 A BRANCH 33 36 ATOM 36 N LIG 1 7.619 3.981 2.016 0.00 0.00 -0.355 N ATOM 37 H LIG 1 7.732 4.980 1.892 0.00 0.00 +0.142 HD ATOM 38 H LIG 1 8.336 3.420 1.569 0.00 0.00 +0.142 HD ENDBRANCH 33 36 BRANCH 32 39 ATOM 39 O LIG 1 7.130 1.302 1.212 0.00 0.00 -0.488 OA BRANCH 39 40 ATOM 40 C LIG 1 7.505 1.356 -0.177 0.00 0.00 +0.167 C ATOM 41 C LIG 1 6.811 0.234 -0.945 0.00 0.00 +0.051 C ATOM 42 C LIG 1 9.018 1.172 -0.242 0.00 0.00 +0.051 C ENDBRANCH 39 40 ENDBRANCH 32 39 ENDBRANCH 28 30 ENDBRANCH 4 26 BRANCH 3 43 ATOM 43 O LIG 1 2.034 -0.965 -0.947 0.00 0.00 -0.490 OA BRANCH 43 44 ATOM 44 C LIG 1 2.024 -1.528 -2.261 0.00 0.00 +0.232 C BRANCH 44 45 ATOM 45 C LIG 1 2.873 -2.809 -2.319 0.00 0.00 +0.020 C ATOM 46 C LIG 1 4.317 -2.538 -1.889 0.00 0.00 +0.010 C ATOM 47 C LIG 1 2.280 -3.927 -1.463 0.00 0.00 +0.010 C ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 3 43 TORSDOF 15