REMARK Name = BDB059866 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.585 -0.881 -1.328 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.215 -0.943 -1.030 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.745 -0.315 -1.845 0.00 0.00 -0.027 A ATOM 4 C LIG 1 -2.206 -0.419 -1.463 0.00 0.00 +0.143 C ATOM 5 N LIG 1 -3.110 0.356 -2.314 0.00 0.00 -0.293 N ATOM 6 C LIG 1 -2.730 0.468 -3.717 0.00 0.00 +0.113 C ATOM 7 C LIG 1 -1.339 1.079 -3.862 0.00 0.00 +0.054 C ATOM 8 C LIG 1 -4.439 0.603 -1.973 0.00 0.00 +0.247 C ATOM 9 O LIG 1 -5.292 1.006 -2.759 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.330 0.375 -2.993 0.00 0.00 -0.041 A ATOM 11 C LIG 1 1.033 0.458 -3.293 0.00 0.00 +0.004 A ATOM 12 C LIG 1 1.975 -0.166 -2.473 0.00 0.00 +0.004 A ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -4.850 0.369 -0.566 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -5.524 -0.832 -0.242 0.00 0.00 -0.035 A ATOM 15 C LIG 1 -5.878 -1.826 -1.321 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -5.918 -1.042 1.093 0.00 0.00 -0.047 A ATOM 17 C LIG 1 -6.673 -2.272 1.519 0.00 0.00 +0.044 C ATOM 18 C LIG 1 -5.581 -0.088 2.068 0.00 0.00 +0.007 A ATOM 19 C LIG 1 -4.898 1.097 1.748 0.00 0.00 -0.047 A ATOM 20 C LIG 1 -4.584 2.070 2.853 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -4.560 1.357 0.407 0.00 0.00 -0.035 A ATOM 22 C LIG 1 -3.853 2.632 0.019 0.00 0.00 +0.045 C ENDBRANCH 8 13 BRANCH 1 23 ATOM 23 C LIG 1 2.671 -1.549 -0.474 0.00 0.00 +0.063 C BRANCH 23 28 ATOM 24 N LIG 1 6.105 2.194 2.028 0.00 0.00 -0.244 N ATOM 25 C LIG 1 5.490 1.202 1.311 0.00 0.00 +0.089 A ATOM 26 C LIG 1 4.154 1.337 1.664 0.00 0.00 +0.116 A ATOM 27 C LIG 1 3.166 0.478 1.124 0.00 0.00 -0.017 A ATOM 28 C LIG 1 3.602 -0.518 0.203 0.00 0.00 -0.034 A ATOM 29 C LIG 1 4.978 -0.610 -0.125 0.00 0.00 +0.007 A ATOM 30 C LIG 1 1.729 0.687 1.503 0.00 0.00 +0.046 C ATOM 31 N LIG 1 4.027 2.379 2.552 0.00 0.00 -0.129 NA ATOM 32 C LIG 1 5.947 0.239 0.416 0.00 0.00 +0.030 A ATOM 33 N LIG 1 5.229 2.894 2.769 0.00 0.00 -0.065 NA BRANCH 24 35 ATOM 34 C LIG 1 7.873 3.571 1.014 0.00 0.00 +0.029 C ATOM 35 C LIG 1 7.509 2.535 2.062 0.00 0.00 +0.142 C ENDBRANCH 24 35 ENDBRANCH 23 28 BRANCH 23 36 ATOM 36 C LIG 1 2.215 -2.675 0.498 0.00 0.00 +0.106 C ATOM 37 C LIG 1 3.357 -3.301 1.308 0.00 0.00 +0.020 C BRANCH 36 38 ATOM 38 C LIG 1 1.525 -3.787 -0.262 0.00 0.00 +0.308 C ATOM 39 O LIG 1 0.375 -4.157 -0.088 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 2.304 -4.393 -1.177 0.00 0.00 -0.480 OA ATOM 41 H LIG 1 1.718 -5.071 -1.576 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 36 38 ENDBRANCH 23 36 ENDBRANCH 1 23 TORSDOF 7