REMARK Name = BDB006343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.160 0.383 1.754 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.902 1.260 0.690 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.647 1.899 0.609 0.00 0.00 +0.001 A ATOM 4 C LIG 1 0.082 2.821 -0.313 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.191 3.114 0.116 0.00 0.00 +0.087 A ATOM 6 N LIG 1 -1.429 2.397 1.264 0.00 0.00 -0.342 N ATOM 7 C LIG 1 -0.311 1.653 1.598 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -0.055 0.794 2.678 0.00 0.00 +0.027 A ATOM 9 C LIG 1 1.195 0.169 2.741 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 4.126 -0.602 0.706 0.00 0.00 -0.305 N ATOM 11 H LIG 1 3.638 -0.486 -0.171 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 3.466 -0.322 1.883 0.00 0.00 +0.245 C ATOM 13 O LIG 1 3.887 -0.648 2.987 0.00 0.00 -0.270 OA BRANCH 10 15 ATOM 14 C LIG 1 5.100 -2.859 0.866 0.00 0.00 +0.033 C ATOM 15 C LIG 1 5.364 -1.360 0.691 0.00 0.00 +0.100 C BRANCH 15 16 ATOM 16 C LIG 1 6.136 -1.029 -0.578 0.00 0.00 -0.027 A ATOM 17 C LIG 1 5.812 -1.601 -1.820 0.00 0.00 +0.007 A ATOM 18 C LIG 1 6.523 -1.257 -2.974 0.00 0.00 +0.033 A ATOM 19 C LIG 1 7.563 -0.323 -2.893 0.00 0.00 +0.126 A ATOM 20 C LIG 1 7.890 0.270 -1.668 0.00 0.00 +0.033 A ATOM 21 C LIG 1 7.174 -0.082 -0.521 0.00 0.00 +0.007 A BRANCH 19 22 ATOM 22 N LIG 1 8.310 0.042 -4.102 0.00 0.00 +0.056 N ATOM 23 O LIG 1 9.230 0.864 -3.987 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 7.976 -0.493 -5.169 0.00 0.00 -0.126 OA ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 12 BRANCH 6 25 ATOM 25 C LIG 1 -2.670 2.476 2.029 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 -3.772 1.662 1.397 0.00 0.00 -0.028 A ATOM 27 C LIG 1 -3.759 0.263 1.461 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -4.782 -0.486 0.871 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -5.845 0.138 0.200 0.00 0.00 -0.018 A ATOM 30 C LIG 1 -5.849 1.540 0.140 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -4.828 2.293 0.727 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 -6.920 -0.653 -0.422 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -6.627 -1.671 -1.345 0.00 0.00 +0.008 A ATOM 34 C LIG 1 -7.647 -2.422 -1.937 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -8.977 -2.167 -1.614 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -9.289 -1.163 -0.702 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -8.268 -0.412 -0.112 0.00 0.00 +0.008 A ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 7