REMARK Name = BDB024385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.364 -1.668 -1.214 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.127 -2.953 -1.994 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.564 -4.089 -1.388 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.356 -5.258 -2.123 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.718 -5.312 -3.467 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.296 -4.201 -4.077 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.504 -3.030 -3.345 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.112 -0.714 -1.149 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.225 -0.675 -2.154 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -1.108 -1.274 -0.379 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.056 -1.459 0.837 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.688 0.790 -0.180 0.00 0.00 +0.049 A ATOM 13 C LIG 1 3.115 0.709 -1.456 0.00 0.00 +0.136 A ATOM 14 N LIG 1 1.883 0.219 -1.762 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.131 -0.233 -0.745 0.00 0.00 +0.125 A ATOM 16 C LIG 1 1.574 -0.198 0.562 0.00 0.00 +0.045 A ATOM 17 C LIG 1 2.849 0.316 0.834 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 5.377 2.143 2.360 0.00 0.00 +0.038 C ATOM 19 C LIG 1 5.660 1.026 1.353 0.00 0.00 +0.156 C ATOM 20 N LIG 1 4.956 1.319 0.068 0.00 0.00 -0.316 N ATOM 21 C LIG 1 5.766 1.801 -1.063 0.00 0.00 +0.125 C ATOM 22 C LIG 1 7.060 2.475 -0.604 0.00 0.00 +0.126 C ATOM 23 N LIG 1 7.839 1.587 0.237 0.00 0.00 -0.302 N ATOM 24 C LIG 1 9.285 1.692 0.209 0.00 0.00 +0.132 C ATOM 25 C LIG 1 7.200 0.867 1.238 0.00 0.00 +0.236 C ATOM 26 O LIG 1 7.823 0.185 2.056 0.00 0.00 -0.274 OA ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 27 ATOM 27 N LIG 1 -3.553 -1.820 -0.344 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.250 -2.367 0.466 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.065 -0.524 0.118 0.00 0.00 +0.089 C BRANCH 29 30 ATOM 30 C LIG 1 -5.316 -0.676 1.019 0.00 0.00 +0.030 C ATOM 31 C LIG 1 -5.024 -1.441 2.316 0.00 0.00 +0.014 C BRANCH 30 32 ATOM 32 C LIG 1 -5.925 0.690 1.317 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -5.253 1.639 2.104 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -5.827 2.888 2.358 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -7.080 3.207 1.828 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -7.756 2.270 1.042 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -7.181 1.021 0.788 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -7.668 4.488 2.087 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -8.143 5.526 2.296 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 9