REMARK Name = BDB025244 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.527 -1.466 -0.670 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.216 -1.899 -0.403 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.962 -3.349 -0.531 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.623 -4.136 0.613 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.478 -3.746 -0.580 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.675 -2.725 -1.359 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.826 -1.408 -0.654 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.740 -0.528 -0.470 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.565 -0.672 -0.861 0.00 0.00 -0.223 NA ATOM 10 C LIG 1 -1.200 0.428 -0.483 0.00 0.00 +0.198 A ATOM 11 N LIG 1 -0.333 1.268 0.196 0.00 0.00 -0.317 N ATOM 12 C LIG 1 0.920 0.680 0.187 0.00 0.00 +0.070 A ATOM 13 C LIG 1 2.165 1.076 0.684 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.243 0.203 0.483 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.103 -1.018 -0.191 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.468 -2.235 -0.859 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.622 2.549 0.844 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.595 3.717 -0.158 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -0.892 5.082 0.481 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.112 5.042 1.405 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.050 3.908 2.426 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.863 2.552 1.751 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 0.321 5.628 1.219 0.00 0.00 +0.308 C ATOM 24 O LIG 1 1.223 4.946 1.678 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 0.303 6.975 1.345 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -0.471 7.407 0.936 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 -2.596 0.689 -0.831 0.00 0.00 +0.282 C ATOM 28 N LIG 1 -3.524 -0.370 -0.777 0.00 0.00 -0.295 N ATOM 29 C LIG 1 -4.860 -0.111 -1.296 0.00 0.00 +0.132 C ATOM 30 O LIG 1 -2.971 1.818 -1.156 0.00 0.00 -0.267 OA BRANCH 28 31 ATOM 31 C LIG 1 -3.232 -1.698 -0.203 0.00 0.00 +0.076 C ATOM 32 C LIG 1 -4.354 -2.284 0.680 0.00 0.00 +0.022 C ATOM 33 C LIG 1 -4.883 -3.497 -0.074 0.00 0.00 +0.002 C ATOM 34 C LIG 1 -3.659 -4.017 -0.807 0.00 0.00 +0.002 C ATOM 35 C LIG 1 -2.978 -2.749 -1.300 0.00 0.00 +0.022 C ENDBRANCH 28 31 ENDBRANCH 10 27 BRANCH 1 37 ATOM 36 C LIG 1 6.987 0.324 -1.112 0.00 0.00 +0.282 C ATOM 37 O LIG 1 5.670 -0.114 -0.775 0.00 0.00 -0.453 OA ENDBRANCH 1 37 TORSDOF 6