REMARK Name = BDB015009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.655 0.004 -0.115 0.00 0.00 +0.002 A ATOM 2 C LIG 1 1.358 0.868 0.948 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.292 1.770 0.861 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -0.495 1.837 -0.289 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -0.210 0.982 -1.352 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.857 0.074 -1.265 0.00 0.00 +0.013 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 4.539 -1.872 0.741 0.00 0.00 -0.267 N ATOM 8 N LIG 1 3.662 -0.881 0.991 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 2.774 -0.942 -0.018 0.00 0.00 +0.093 A ATOM 10 C LIG 1 3.100 -2.017 -0.892 0.00 0.00 +0.049 A ATOM 11 C LIG 1 4.231 -2.598 -0.371 0.00 0.00 +0.109 A BRANCH 7 12 ATOM 12 C LIG 1 5.647 -2.110 1.657 0.00 0.00 +0.178 C BRANCH 12 16 ATOM 13 C LIG 1 9.442 -0.871 -0.019 0.00 0.00 +0.120 A ATOM 14 C LIG 1 8.446 0.068 0.256 0.00 0.00 +0.046 A ATOM 15 C LIG 1 7.221 -0.328 0.796 0.00 0.00 +0.009 A ATOM 16 C LIG 1 6.968 -1.679 1.067 0.00 0.00 -0.026 A ATOM 17 C LIG 1 7.971 -2.619 0.792 0.00 0.00 +0.009 A ATOM 18 C LIG 1 9.199 -2.217 0.251 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 11.633 -1.266 -0.853 0.00 0.00 +0.277 C ATOM 20 O LIG 1 10.592 -0.349 -0.545 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 12 16 ENDBRANCH 7 12 ENDBRANCH 1 9 BRANCH 4 21 ATOM 21 O LIG 1 -1.499 2.762 -0.238 0.00 0.00 -0.489 OA BRANCH 21 22 ATOM 22 C LIG 1 -2.264 3.001 -1.416 0.00 0.00 +0.261 C BRANCH 22 23 ATOM 23 C LIG 1 -3.474 2.057 -1.543 0.00 0.00 +0.166 C BRANCH 23 24 ATOM 24 O LIG 1 -4.113 2.342 -2.798 0.00 0.00 -0.387 OA ATOM 25 H LIG 1 -4.618 3.167 -2.696 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.455 2.232 -0.353 0.00 0.00 +0.119 C BRANCH 26 27 ATOM 27 N LIG 1 -5.422 1.129 -0.150 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -6.200 1.386 1.081 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -7.326 0.405 1.329 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -7.841 -0.380 0.286 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -8.902 -1.262 0.535 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -9.469 -1.342 1.806 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.976 -0.547 2.838 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.203 -0.327 -1.076 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -7.912 0.324 2.601 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.335 0.924 -1.283 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 10