REMARK Name = BDB020689 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.619 0.899 -0.494 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.725 1.475 -0.687 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -0.772 2.982 -0.736 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.791 0.628 -0.802 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -1.541 -0.773 -0.706 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.268 -1.317 -0.527 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -0.359 -2.693 -0.486 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -1.721 -3.020 -0.621 0.00 0.00 +0.018 A ATOM 9 C LIG 1 -2.420 -1.842 -0.746 0.00 0.00 +0.101 A ATOM 10 C LIG 1 0.831 -0.429 -0.430 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -2.358 -4.425 -0.624 0.00 0.00 +0.067 A ATOM 12 N LIG 1 -1.686 -5.607 -0.499 0.00 0.00 -0.277 N ATOM 13 H LIG 1 -0.689 -5.747 -0.388 0.00 0.00 +0.189 HD ATOM 14 N LIG 1 -2.487 -6.689 -0.534 0.00 0.00 -0.182 NA ATOM 15 C LIG 1 -3.706 -6.165 -0.686 0.00 0.00 +0.135 A ATOM 16 C LIG 1 -3.686 -4.758 -0.748 0.00 0.00 +0.049 A ENDBRANCH 8 11 BRANCH 1 19 ATOM 17 N LIG 1 2.437 1.699 0.843 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.070 1.080 1.558 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 1.842 1.749 -0.391 0.00 0.00 +0.245 C ATOM 20 O LIG 1 2.237 2.427 -1.331 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 3.698 2.345 1.125 0.00 0.00 +0.145 C BRANCH 21 28 ATOM 22 C LIG 1 7.893 -1.686 1.117 0.00 0.00 +0.063 C ATOM 23 C LIG 1 6.844 -0.622 1.024 0.00 0.00 +0.016 A ATOM 24 N LIG 1 5.931 -0.549 2.046 0.00 0.00 -0.326 N ATOM 25 H LIG 1 5.980 -1.203 2.818 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 4.903 0.355 2.106 0.00 0.00 +0.254 A ATOM 27 O LIG 1 4.095 0.344 3.031 0.00 0.00 -0.268 OA ATOM 28 C LIG 1 4.805 1.342 0.979 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.710 1.266 -0.024 0.00 0.00 -0.039 A ATOM 30 C LIG 1 5.753 2.161 -1.232 0.00 0.00 +0.044 C ATOM 31 C LIG 1 6.751 0.247 0.006 0.00 0.00 +0.024 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 32 ATOM 32 C LIG 1 -3.229 1.114 -1.064 0.00 0.00 +0.101 C ATOM 33 C LIG 1 -3.619 0.727 -2.508 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 -4.206 0.676 -0.038 0.00 0.00 -0.290 NA ATOM 35 C LIG 1 -3.764 1.044 1.333 0.00 0.00 +0.113 C ATOM 36 C LIG 1 -4.931 1.094 2.330 0.00 0.00 +0.175 C ATOM 37 O LIG 1 -5.885 2.113 2.004 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -5.977 2.362 0.596 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -5.592 1.145 -0.261 0.00 0.00 +0.113 C ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 6