REMARK Name = BDB029606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.109 0.254 -0.098 0.00 0.00 +0.028 A ATOM 2 C LIG 1 1.724 0.243 -0.340 0.00 0.00 +0.039 A ATOM 3 C LIG 1 1.034 -0.822 -0.979 0.00 0.00 +0.080 A ATOM 4 C LIG 1 -0.443 -0.588 -1.119 0.00 0.00 +0.250 C ATOM 5 N LIG 1 -1.341 -1.593 -1.464 0.00 0.00 -0.292 N ATOM 6 C LIG 1 -0.964 -2.989 -1.595 0.00 0.00 +0.149 C ATOM 7 C LIG 1 0.142 -3.131 -2.619 0.00 0.00 +0.248 C ATOM 8 O LIG 1 1.411 -3.083 -1.994 0.00 0.00 -0.490 OA ATOM 9 O LIG 1 -0.877 0.544 -0.881 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.788 -1.930 -1.373 0.00 0.00 +0.133 A ATOM 11 C LIG 1 3.164 -1.951 -1.092 0.00 0.00 +0.048 A ATOM 12 C LIG 1 3.809 -0.885 -0.459 0.00 0.00 +0.026 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 3.647 1.333 0.588 0.00 0.00 -0.341 N ATOM 14 H LIG 1 3.064 2.166 0.507 0.00 0.00 +0.146 HD BRANCH 13 20 ATOM 15 C LIG 1 10.019 0.741 1.719 0.00 0.00 +0.109 C ATOM 16 C LIG 1 9.272 1.668 0.795 0.00 0.00 +0.212 C ATOM 17 N LIG 1 7.918 1.428 0.602 0.00 0.00 -0.302 N ATOM 18 C LIG 1 7.173 0.308 1.174 0.00 0.00 +0.109 C ATOM 19 C LIG 1 5.807 0.741 1.702 0.00 0.00 +0.041 C ATOM 20 C LIG 1 5.067 1.672 0.733 0.00 0.00 +0.073 C ATOM 21 C LIG 1 5.775 1.870 -0.605 0.00 0.00 +0.041 C ATOM 22 C LIG 1 7.222 2.282 -0.360 0.00 0.00 +0.109 C ATOM 23 O LIG 1 9.859 2.602 0.246 0.00 0.00 -0.276 OA ENDBRANCH 13 20 ENDBRANCH 1 13 BRANCH 5 24 ATOM 24 C LIG 1 -2.784 -1.276 -1.477 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 -3.399 -1.265 -0.061 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 -3.054 -0.082 0.671 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -2.276 0.322 0.229 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -4.939 -1.441 -0.088 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -5.654 -0.643 -1.107 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -5.715 0.795 -0.772 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -6.721 1.165 0.299 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -7.827 0.339 0.570 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -8.766 0.727 1.535 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -8.621 1.937 2.212 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.535 2.764 1.937 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.963 -0.994 -0.122 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -6.591 2.382 0.983 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -7.027 -1.133 -1.331 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 7