REMARK Name = BDB026997 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.583 1.956 -0.556 0.00 0.00 +0.158 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.681 3.009 0.539 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.841 2.656 1.890 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.927 3.639 2.877 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.867 4.986 2.529 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.729 5.353 1.193 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.643 4.372 0.203 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.587 0.820 -0.167 0.00 0.00 +0.202 C ATOM 9 O LIG 1 -1.011 -0.250 0.281 0.00 0.00 -0.288 OA BRANCH 8 14 ATOM 10 C LIG 1 4.290 -1.159 0.143 0.00 0.00 -0.010 A ATOM 11 C LIG 1 4.271 0.126 -0.288 0.00 0.00 +0.055 A ATOM 12 C LIG 1 3.048 0.841 -0.435 0.00 0.00 +0.139 A ATOM 13 N LIG 1 1.864 0.181 -0.121 0.00 0.00 -0.297 N ATOM 14 C LIG 1 0.831 1.078 -0.349 0.00 0.00 +0.111 A ATOM 15 C LIG 1 1.472 2.232 -0.770 0.00 0.00 +0.142 A ATOM 16 C LIG 1 1.851 -1.142 0.320 0.00 0.00 +0.094 A ATOM 17 N LIG 1 2.827 2.073 -0.833 0.00 0.00 -0.235 NA ATOM 18 C LIG 1 3.009 -1.811 0.455 0.00 0.00 +0.027 A BRANCH 10 23 ATOM 19 C LIG 1 8.948 -2.804 -0.328 0.00 0.00 +0.172 C ATOM 20 N LIG 1 7.580 -2.614 0.088 0.00 0.00 -0.274 N ATOM 21 N LIG 1 7.065 -3.402 1.048 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 5.812 -2.957 1.179 0.00 0.00 +0.142 A ATOM 23 C LIG 1 5.518 -1.889 0.301 0.00 0.00 +0.020 A ATOM 24 C LIG 1 6.694 -1.692 -0.392 0.00 0.00 +0.116 A ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.936 1.409 -0.827 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -3.154 0.755 -0.068 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.002 0.683 -2.101 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.401 0.091 -2.343 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.773 -1.001 -1.367 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.231 -2.287 -1.496 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.560 -3.289 -0.580 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.433 -3.015 0.477 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.976 -1.734 0.613 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.647 -0.733 -0.304 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.768 -4.043 1.418 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.039 -4.876 2.179 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9