REMARK Name = BDB026915 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.135 0.433 -0.730 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.863 -0.735 0.209 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.403 -1.983 -0.244 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.170 -3.025 0.656 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.406 -2.843 2.017 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.887 -1.622 2.481 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.119 -0.578 1.584 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.353 0.424 -2.069 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.965 0.431 -3.145 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.502 1.129 0.401 0.00 0.00 -0.037 A ATOM 11 C LIG 1 4.565 0.781 -0.956 0.00 0.00 +0.030 A ATOM 12 C LIG 1 3.363 0.590 -1.653 0.00 0.00 +0.047 A ATOM 13 C LIG 1 2.101 0.725 -1.065 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.121 0.447 -2.085 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.837 0.178 -3.243 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.067 1.082 0.301 0.00 0.00 +0.011 A ATOM 17 N LIG 1 3.171 0.256 -2.971 0.00 0.00 -0.360 N ATOM 18 H LIG 1 3.913 0.094 -3.637 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.258 1.270 1.017 0.00 0.00 +0.005 A BRANCH 10 20 ATOM 20 C LIG 1 5.772 1.336 1.191 0.00 0.00 +0.131 C BRANCH 20 24 ATOM 21 C LIG 1 8.457 -1.342 1.293 0.00 0.00 +0.128 C ATOM 22 N LIG 1 7.659 -0.191 0.953 0.00 0.00 -0.318 N ATOM 23 H LIG 1 8.110 0.577 0.471 0.00 0.00 +0.148 HD ATOM 24 C LIG 1 6.446 0.030 1.578 0.00 0.00 +0.217 C ATOM 25 O LIG 1 5.951 -0.761 2.377 0.00 0.00 -0.275 OA ENDBRANCH 20 24 ENDBRANCH 10 20 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.596 0.657 -0.962 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -2.671 1.335 -1.724 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.333 -0.553 -1.360 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.756 -0.225 -1.845 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.667 0.318 -0.767 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -5.980 1.683 -0.721 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.818 2.183 0.278 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -7.350 1.324 1.245 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -7.039 -0.039 1.208 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -6.201 -0.538 0.208 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -8.211 1.839 2.268 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -8.912 2.269 3.088 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10