REMARK Name = BDB024118 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.539 -1.357 -1.259 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.270 -2.544 -2.173 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.526 -2.439 -3.550 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.284 -3.517 -4.403 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.792 -4.715 -3.892 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.548 -4.841 -2.526 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.790 -3.765 -1.670 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.716 -0.472 -0.918 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.675 -0.301 -1.915 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.340 -1.102 -0.296 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.377 -1.443 0.886 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -4.420 0.815 0.476 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -3.973 0.915 -0.837 0.00 0.00 +0.123 A ATOM 14 N LIG 1 -2.759 0.489 -1.278 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 -1.933 -0.072 -0.373 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -2.282 -0.216 0.961 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -3.538 0.231 1.387 0.00 0.00 +0.015 A BRANCH 12 21 ATOM 18 C LIG 1 -8.772 2.838 0.010 0.00 0.00 +0.172 C ATOM 19 N LIG 1 -7.669 2.190 0.676 0.00 0.00 -0.274 N ATOM 20 N LIG 1 -6.566 1.879 -0.025 0.00 0.00 -0.171 NA ATOM 21 C LIG 1 -5.743 1.299 0.865 0.00 0.00 +0.094 A ATOM 22 C LIG 1 -6.362 1.254 2.146 0.00 0.00 +0.049 A ATOM 23 C LIG 1 -7.597 1.836 1.987 0.00 0.00 +0.108 A ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 2.790 -1.582 -0.498 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 2.559 -2.224 0.265 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 3.317 -0.337 0.071 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 4.574 -0.624 0.902 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 5.149 0.639 1.499 0.00 0.00 -0.046 A ATOM 29 C LIG 1 6.140 1.358 0.818 0.00 0.00 +0.005 A ATOM 30 C LIG 1 6.659 2.536 1.362 0.00 0.00 +0.019 A ATOM 31 C LIG 1 6.188 3.009 2.590 0.00 0.00 +0.052 A ATOM 32 C LIG 1 5.194 2.299 3.271 0.00 0.00 +0.019 A ATOM 33 C LIG 1 4.676 1.121 2.727 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 6.719 4.218 3.148 0.00 0.00 +0.099 C ATOM 35 N LIG 1 7.149 5.197 3.599 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9