REMARK Name = BDB007575 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.198 0.742 0.499 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -1.011 -0.157 -0.313 0.00 0.00 +0.244 C ATOM 3 N LIG 1 0.221 -0.728 -0.543 0.00 0.00 -0.309 N ATOM 4 H LIG 1 0.266 -1.633 -0.998 0.00 0.00 +0.149 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -2.152 -0.715 -1.088 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -3.439 -0.620 -0.533 0.00 0.00 +0.036 A ATOM 7 C LIG 1 -4.563 -1.093 -1.216 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -4.352 -1.724 -2.452 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -3.079 -1.816 -3.021 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -1.976 -1.301 -2.344 0.00 0.00 +0.013 A BRANCH 7 11 ATOM 11 N LIG 1 -5.851 -1.075 -0.693 0.00 0.00 -0.338 N ATOM 12 H LIG 1 -6.583 -1.208 -1.385 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -6.250 -0.205 0.431 0.00 0.00 +0.103 C ATOM 14 C LIG 1 -6.255 1.282 0.028 0.00 0.00 +0.160 C ATOM 15 C LIG 1 -6.755 2.149 1.194 0.00 0.00 +0.193 C ATOM 16 O LIG 1 -7.529 1.417 2.156 0.00 0.00 -0.377 OA ATOM 17 C LIG 1 -8.427 0.507 1.534 0.00 0.00 +0.162 C ATOM 18 C LIG 1 -7.651 -0.640 0.899 0.00 0.00 +0.053 C BRANCH 14 19 ATOM 19 O LIG 1 -7.114 1.464 -1.114 0.00 0.00 -0.388 OA ATOM 20 H LIG 1 -6.662 1.003 -1.844 0.00 0.00 +0.210 HD ENDBRANCH 14 19 ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 2 5 BRANCH 3 21 ATOM 21 C LIG 1 1.376 -0.364 0.265 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 2.654 -0.997 -0.305 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 2.455 -2.421 -0.418 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 2.307 -2.765 0.481 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 3.898 -0.723 0.570 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 4.201 0.696 0.810 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 5.301 0.855 1.784 0.00 0.00 +0.120 C ATOM 28 C LIG 1 6.687 0.605 1.227 0.00 0.00 -0.030 A ATOM 29 C LIG 1 6.944 0.717 -0.152 0.00 0.00 -0.042 A ATOM 30 C LIG 1 8.243 0.514 -0.637 0.00 0.00 +0.004 A ATOM 31 C LIG 1 9.286 0.226 0.242 0.00 0.00 +0.000 A ATOM 32 C LIG 1 9.039 0.133 1.610 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.815 0.991 -1.115 0.00 0.00 +0.051 C ATOM 34 C LIG 1 7.748 0.325 2.101 0.00 0.00 +0.005 A ATOM 35 C LIG 1 4.534 1.456 -0.408 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 9