REMARK Name = BDB024387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.811 -2.625 1.522 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.073 -3.411 1.188 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -3.673 -4.174 2.212 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -4.842 -4.904 1.983 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -5.440 -4.880 0.727 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -4.865 -4.132 -0.297 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -3.691 -3.407 -0.070 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.328 -1.675 0.886 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.286 -1.367 1.852 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.774 -2.353 0.395 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.907 -2.728 -0.765 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.759 -0.161 -0.932 0.00 0.00 +0.049 A ATOM 13 C LIG 1 3.397 0.020 0.403 0.00 0.00 +0.136 A ATOM 14 N LIG 1 2.280 -0.486 0.984 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.451 -1.214 0.209 0.00 0.00 +0.125 A ATOM 16 C LIG 1 1.707 -1.447 -1.131 0.00 0.00 +0.045 A ATOM 17 C LIG 1 2.865 -0.911 -1.699 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 6.532 -0.731 0.015 0.00 0.00 +0.038 C ATOM 19 C LIG 1 6.172 0.510 -0.796 0.00 0.00 +0.156 C ATOM 20 N LIG 1 4.888 0.388 -1.554 0.00 0.00 -0.316 N ATOM 21 C LIG 1 4.513 1.602 -2.337 0.00 0.00 +0.125 C ATOM 22 C LIG 1 5.471 2.787 -2.102 0.00 0.00 +0.126 C ATOM 23 N LIG 1 5.802 2.947 -0.689 0.00 0.00 -0.302 N ATOM 24 C LIG 1 6.001 4.280 -0.159 0.00 0.00 +0.132 C ATOM 25 C LIG 1 6.250 1.826 0.017 0.00 0.00 +0.236 C ATOM 26 O LIG 1 6.703 1.883 1.158 0.00 0.00 -0.274 OA ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 27 ATOM 27 N LIG 1 -2.072 -1.417 2.354 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -2.796 -1.644 3.033 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -2.421 -0.174 1.650 0.00 0.00 +0.089 C BRANCH 29 30 ATOM 30 C LIG 1 -3.824 -0.050 1.009 0.00 0.00 +0.030 C ATOM 31 C LIG 1 -4.961 -0.223 2.021 0.00 0.00 +0.014 C BRANCH 30 32 ATOM 32 C LIG 1 -3.923 1.276 0.258 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -4.045 2.503 0.929 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -4.076 3.704 0.216 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -3.979 3.697 -1.178 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -3.861 2.484 -1.858 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -3.833 1.282 -1.145 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -3.975 4.933 -1.900 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -3.954 5.942 -2.470 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 9