REMARK Name = BDB024190 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.841 -0.970 -0.120 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.700 -2.318 0.580 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.721 -2.818 1.406 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.587 -4.055 2.038 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.432 -4.811 1.851 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.412 -4.332 1.031 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.545 -3.095 0.398 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -2.001 0.170 0.931 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.938 0.866 1.425 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -1.235 1.537 2.120 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -3.107 0.493 1.391 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 0.426 0.785 1.156 0.00 0.00 +0.125 A ATOM 13 N LIG 1 0.907 -0.052 0.225 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 2.250 -0.066 0.018 0.00 0.00 +0.121 A ATOM 15 C LIG 1 3.166 0.729 0.698 0.00 0.00 +0.003 A ATOM 16 C LIG 1 2.641 1.594 1.656 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.263 1.623 1.887 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 4.587 0.658 0.408 0.00 0.00 +0.021 A ATOM 19 C LIG 1 5.598 1.036 1.267 0.00 0.00 +0.118 A ATOM 20 N LIG 1 6.787 0.790 0.624 0.00 0.00 -0.251 N ATOM 21 N LIG 1 6.598 0.302 -0.624 0.00 0.00 -0.178 NA ATOM 22 C LIG 1 5.273 0.212 -0.743 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 8.161 1.060 1.096 0.00 0.00 +0.143 C ATOM 24 C LIG 1 8.679 2.338 0.412 0.00 0.00 +0.052 C ATOM 25 C LIG 1 9.093 -0.121 0.753 0.00 0.00 +0.052 C BRANCH 23 26 ATOM 26 C LIG 1 8.202 1.257 2.563 0.00 0.00 +0.092 C ATOM 27 N LIG 1 8.238 1.423 3.712 0.00 0.00 -0.194 NA ENDBRANCH 23 26 ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 28 ATOM 28 N LIG 1 -3.027 -1.011 -1.026 0.00 0.00 -0.301 NA ATOM 29 H LIG 1 -3.000 -1.898 -1.528 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.018 0.097 -1.990 0.00 0.00 +0.089 C BRANCH 30 32 ATOM 31 C LIG 1 -4.697 -1.162 -3.481 0.00 0.00 +0.014 C ATOM 32 C LIG 1 -4.287 0.188 -2.884 0.00 0.00 +0.030 C BRANCH 32 33 ATOM 33 C LIG 1 -5.487 0.873 -2.242 0.00 0.00 -0.043 A ATOM 34 C LIG 1 -6.289 1.723 -3.023 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -7.404 2.364 -2.473 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -7.738 2.160 -1.132 0.00 0.00 +0.052 A ATOM 37 C LIG 1 -6.956 1.310 -0.349 0.00 0.00 +0.019 A ATOM 38 C LIG 1 -5.844 0.668 -0.902 0.00 0.00 +0.005 A BRANCH 36 39 ATOM 39 C LIG 1 -8.877 2.820 -0.565 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -9.801 3.357 -0.112 0.00 0.00 -0.191 NA ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 11