REMARK Name = BDB056433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.808 -1.050 -1.675 0.00 0.00 -0.287 N ATOM 2 H LIG 1 -1.655 -1.999 -1.999 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -3.096 -0.806 -1.312 0.00 0.00 +0.192 C ATOM 4 N LIG 1 -3.538 0.429 -0.977 0.00 0.00 -0.253 N ATOM 5 H LIG 1 -3.005 1.281 -0.997 0.00 0.00 +0.158 HD ATOM 6 C LIG 1 -4.868 0.378 -0.717 0.00 0.00 +0.269 C ATOM 7 O LIG 1 -5.596 1.302 -0.418 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -5.174 -1.069 -0.917 0.00 0.00 +0.130 C ATOM 9 C LIG 1 -6.347 -1.695 -0.751 0.00 0.00 +0.041 C ATOM 10 N LIG 1 -4.019 -1.724 -1.304 0.00 0.00 -0.213 NA BRANCH 9 11 ATOM 11 C LIG 1 -7.619 -1.096 -0.340 0.00 0.00 -0.019 A ATOM 12 C LIG 1 -8.237 -1.557 0.831 0.00 0.00 +0.057 A ATOM 13 C LIG 1 -9.451 -1.004 1.183 0.00 0.00 +0.167 A ATOM 14 O LIG 1 -10.182 -1.329 2.284 0.00 0.00 -0.453 OA ATOM 15 C LIG 1 -11.310 -0.442 2.130 0.00 0.00 +0.466 C ATOM 16 O LIG 1 -11.246 0.368 0.939 0.00 0.00 -0.453 OA ATOM 17 C LIG 1 -10.059 -0.038 0.417 0.00 0.00 +0.166 A ATOM 18 C LIG 1 -9.487 0.430 -0.745 0.00 0.00 +0.050 A ATOM 19 C LIG 1 -8.254 -0.112 -1.128 0.00 0.00 +0.012 A ENDBRANCH 9 11 ENDBRANCH 1 3 BRANCH 1 23 ATOM 20 C LIG 1 1.783 0.888 -0.548 0.00 0.00 +0.121 A ATOM 21 C LIG 1 1.722 0.089 -1.687 0.00 0.00 +0.047 A ATOM 22 C LIG 1 0.525 -0.553 -2.029 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -0.631 -0.413 -1.246 0.00 0.00 +0.034 A ATOM 24 C LIG 1 -0.556 0.396 -0.110 0.00 0.00 +0.027 A ATOM 25 C LIG 1 0.639 1.037 0.235 0.00 0.00 +0.047 A BRANCH 20 26 ATOM 26 O LIG 1 2.877 1.571 -0.098 0.00 0.00 -0.490 OA BRANCH 26 27 ATOM 27 C LIG 1 4.103 1.389 -0.808 0.00 0.00 +0.257 C BRANCH 27 28 ATOM 28 C LIG 1 5.206 2.201 -0.121 0.00 0.00 +0.201 C BRANCH 28 29 ATOM 29 O LIG 1 5.471 1.833 1.232 0.00 0.00 -0.374 OA BRANCH 29 30 ATOM 30 C LIG 1 5.878 0.484 1.475 0.00 0.00 +0.188 C BRANCH 30 31 ATOM 31 C LIG 1 7.150 0.048 0.739 0.00 0.00 +0.188 C BRANCH 31 32 ATOM 32 O LIG 1 8.252 0.845 1.168 0.00 0.00 -0.376 OA BRANCH 32 33 ATOM 33 C LIG 1 9.451 0.628 0.424 0.00 0.00 +0.174 C BRANCH 33 34 ATOM 34 C LIG 1 10.035 -0.793 0.540 0.00 0.00 +0.105 C BRANCH 34 35 ATOM 35 N LIG 1 10.141 -1.268 1.919 0.00 0.00 -0.328 NA ATOM 36 H LIG 1 10.439 -0.505 2.526 0.00 0.00 +0.118 HD ATOM 37 H LIG 1 10.845 -2.000 1.985 0.00 0.00 +0.118 HD ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 20 26 ENDBRANCH 1 23 TORSDOF 13