REMARK Name = BDB015057 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.082 -1.577 -0.829 0.00 0.00 -0.489 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.866 -0.719 -1.549 0.00 0.00 +0.121 A ATOM 3 C LIG 1 2.030 -0.303 -0.891 0.00 0.00 +0.054 A ATOM 4 C LIG 1 2.943 0.580 -1.494 0.00 0.00 -0.013 A ATOM 5 C LIG 1 2.654 1.036 -2.789 0.00 0.00 +0.009 A ATOM 6 C LIG 1 1.497 0.624 -3.453 0.00 0.00 +0.004 A ATOM 7 C LIG 1 0.605 -0.253 -2.835 0.00 0.00 +0.045 A BRANCH 4 8 ATOM 8 C LIG 1 4.159 1.009 -0.790 0.00 0.00 +0.001 A ATOM 9 C LIG 1 5.046 0.092 -0.216 0.00 0.00 +0.020 A ATOM 10 C LIG 1 6.202 0.529 0.449 0.00 0.00 +0.001 A ATOM 11 C LIG 1 6.441 1.917 0.521 0.00 0.00 +0.071 A ATOM 12 C LIG 1 7.584 2.353 1.177 0.00 0.00 +0.028 A ATOM 13 C LIG 1 8.487 1.457 1.757 0.00 0.00 +0.002 A ATOM 14 C LIG 1 8.248 0.089 1.683 0.00 0.00 +0.001 A ATOM 15 N LIG 1 5.605 2.817 -0.022 0.00 0.00 -0.254 NA ATOM 16 C LIG 1 7.108 -0.376 1.031 0.00 0.00 +0.010 A ATOM 17 C LIG 1 4.498 2.352 -0.654 0.00 0.00 +0.120 A ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -1.169 -1.965 -1.415 0.00 0.00 +0.261 C BRANCH 18 19 ATOM 19 C LIG 1 -1.920 -2.854 -0.412 0.00 0.00 +0.166 C BRANCH 19 20 ATOM 20 O LIG 1 -1.105 -3.994 -0.092 0.00 0.00 -0.387 OA ATOM 21 H LIG 1 -0.208 -3.642 0.073 0.00 0.00 +0.210 HD ENDBRANCH 19 20 BRANCH 19 22 ATOM 22 C LIG 1 -2.278 -2.118 0.900 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -3.154 -0.945 0.726 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 -4.527 -1.348 0.358 0.00 0.00 +0.120 C ATOM 25 C LIG 1 -5.519 -0.203 0.347 0.00 0.00 -0.030 A ATOM 26 C LIG 1 -5.254 0.991 1.039 0.00 0.00 -0.042 A ATOM 27 C LIG 1 -6.200 2.025 1.035 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -7.415 1.865 0.370 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -7.691 0.675 -0.299 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -3.928 1.179 1.729 0.00 0.00 +0.051 C ATOM 31 C LIG 1 -6.750 -0.355 -0.309 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -3.195 -0.148 1.964 0.00 0.00 +0.089 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 7