REMARK Name = BDB007584 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.776 -1.724 -2.267 0.00 0.00 +0.244 C ATOM 2 N LIG 1 -1.773 -0.885 -2.712 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -1.539 0.057 -2.993 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.933 -2.922 -2.085 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 3.079 0.023 -1.554 0.00 0.00 +0.121 A ATOM 6 C LIG 1 2.956 -1.278 -2.053 0.00 0.00 +0.046 A ATOM 7 C LIG 1 1.698 -1.841 -2.280 0.00 0.00 +0.016 A ATOM 8 C LIG 1 0.546 -1.095 -2.023 0.00 0.00 +0.037 A ATOM 9 C LIG 1 0.661 0.204 -1.513 0.00 0.00 +0.016 A ATOM 10 C LIG 1 1.926 0.759 -1.279 0.00 0.00 +0.046 A BRANCH 5 11 ATOM 11 O LIG 1 4.368 0.433 -1.374 0.00 0.00 -0.489 OA BRANCH 11 17 ATOM 12 C LIG 1 9.454 1.181 1.008 0.00 0.00 +0.109 C ATOM 13 C LIG 1 8.073 0.990 1.589 0.00 0.00 +0.212 C ATOM 14 N LIG 1 6.990 1.244 0.749 0.00 0.00 -0.301 N ATOM 15 C LIG 1 5.659 0.925 1.265 0.00 0.00 +0.111 C ATOM 16 C LIG 1 4.578 1.801 0.639 0.00 0.00 +0.063 C ATOM 17 C LIG 1 4.631 1.755 -0.891 0.00 0.00 +0.176 C ATOM 18 C LIG 1 6.038 2.137 -1.361 0.00 0.00 +0.063 C ATOM 19 C LIG 1 7.112 1.270 -0.709 0.00 0.00 +0.111 C ATOM 20 O LIG 1 7.943 0.645 2.764 0.00 0.00 -0.276 OA ENDBRANCH 11 17 ENDBRANCH 5 11 ENDBRANCH 1 8 BRANCH 2 21 ATOM 21 C LIG 1 -3.098 -1.378 -3.040 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 -4.166 -0.994 -2.003 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 -5.454 -1.223 -2.598 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 -5.605 -2.186 -2.601 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -4.013 -1.794 -0.681 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 -4.816 -1.376 0.483 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -4.335 -0.114 1.067 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -5.164 0.367 2.241 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -6.470 -0.109 2.444 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -7.231 0.380 3.514 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.708 1.356 4.364 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.420 1.841 4.158 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.022 -1.190 1.549 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -4.652 1.351 3.101 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -6.257 -1.297 0.224 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 8