REMARK Name = BDB000861 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.462 -0.331 -0.044 0.00 0.00 +0.159 C ATOM 2 C LIG 1 1.125 -1.042 -0.303 0.00 0.00 +0.237 C ATOM 3 O LIG 1 0.465 -0.781 -1.317 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 0.644 -1.925 0.642 0.00 0.00 -0.285 N ATOM 5 C LIG 1 1.333 -2.441 1.837 0.00 0.00 +0.077 C ATOM 6 C LIG 1 0.380 -3.530 2.363 0.00 0.00 +0.025 C ATOM 7 C LIG 1 -0.315 -4.039 1.114 0.00 0.00 +0.034 C ATOM 8 C LIG 1 1.606 -1.422 2.959 0.00 0.00 +0.022 C ATOM 9 C LIG 1 2.994 -0.780 2.904 0.00 0.00 +0.002 C ATOM 10 C LIG 1 3.052 0.606 2.267 0.00 0.00 +0.002 C ATOM 11 C LIG 1 -0.514 -2.767 0.297 0.00 0.00 +0.162 C ATOM 12 C LIG 1 2.253 0.788 0.981 0.00 0.00 +0.032 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.220 0.624 -1.531 0.00 0.00 +0.242 C ATOM 14 N LIG 1 2.928 0.202 -1.320 0.00 0.00 -0.302 N ATOM 15 H LIG 1 2.252 0.299 -2.078 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 5.082 0.593 -0.660 0.00 0.00 -0.273 OA BRANCH 13 18 ATOM 17 C LIG 1 5.741 1.913 -3.102 0.00 0.00 +0.047 C ATOM 18 C LIG 1 4.462 1.102 -2.974 0.00 0.00 +0.197 C BRANCH 18 19 ATOM 19 O LIG 1 3.360 1.870 -3.453 0.00 0.00 -0.383 OA ATOM 20 H LIG 1 3.344 2.696 -2.937 0.00 0.00 +0.210 HD ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 1 14 BRANCH 11 21 ATOM 21 C LIG 1 -1.843 -2.047 0.611 0.00 0.00 +0.234 C ATOM 22 N LIG 1 -2.115 -1.002 -0.243 0.00 0.00 -0.303 N ATOM 23 H LIG 1 -1.396 -0.731 -0.910 0.00 0.00 +0.150 HD ATOM 24 O LIG 1 -2.597 -2.389 1.518 0.00 0.00 -0.274 OA BRANCH 22 25 ATOM 25 C LIG 1 -3.278 -0.149 -0.095 0.00 0.00 +0.134 C BRANCH 25 26 ATOM 26 C LIG 1 -3.017 1.049 0.815 0.00 0.00 -0.023 A ATOM 27 C LIG 1 -1.770 1.694 0.871 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -1.569 2.795 1.707 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -2.615 3.273 2.493 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -3.861 2.655 2.442 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.062 1.553 1.607 0.00 0.00 +0.006 A ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 C LIG 1 -3.811 0.235 -1.470 0.00 0.00 -0.023 A ATOM 33 C LIG 1 -4.999 -0.349 -1.944 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -5.497 -0.033 -3.210 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.812 0.868 -4.023 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.628 1.449 -3.575 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.128 1.132 -2.311 0.00 0.00 +0.006 A ENDBRANCH 25 32 ENDBRANCH 22 25 ENDBRANCH 11 21 TORSDOF 7