REMARK Name = BDB024367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.062 0.710 0.800 0.00 0.00 +0.171 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 2.674 -1.573 -0.831 0.00 0.00 -0.047 A ATOM 3 C LIG 1 1.669 -0.612 -0.645 0.00 0.00 +0.009 A ATOM 4 C LIG 1 1.133 -0.357 0.630 0.00 0.00 -0.021 A ATOM 5 C LIG 1 1.621 -1.088 1.723 0.00 0.00 +0.005 A ATOM 6 C LIG 1 2.613 -2.051 1.546 0.00 0.00 +0.001 A ATOM 7 C LIG 1 3.137 -2.292 0.277 0.00 0.00 +0.003 A BRANCH 2 8 ATOM 8 C LIG 1 3.253 -1.823 -2.202 0.00 0.00 +0.035 C BRANCH 8 9 ATOM 9 C LIG 1 4.068 -0.648 -2.758 0.00 0.00 +0.005 C BRANCH 9 10 ATOM 10 C LIG 1 5.306 -0.263 -1.940 0.00 0.00 +0.000 C BRANCH 10 11 ATOM 11 C LIG 1 6.360 -1.370 -1.874 0.00 0.00 -0.000 C BRANCH 11 13 ATOM 12 C LIG 1 8.661 -1.996 -1.057 0.00 0.00 +0.004 C ATOM 13 C LIG 1 7.611 -0.899 -1.131 0.00 0.00 -0.003 C ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 4 BRANCH 1 14 ATOM 14 C LIG 1 -1.206 0.099 1.477 0.00 0.00 +0.240 C ATOM 15 N LIG 1 -2.114 -0.396 0.563 0.00 0.00 -0.269 N ATOM 16 H LIG 1 -1.888 -0.382 -0.422 0.00 0.00 +0.156 HD ATOM 17 O LIG 1 -1.335 0.066 2.701 0.00 0.00 -0.273 OA BRANCH 15 18 ATOM 18 C LIG 1 -3.350 -0.990 0.803 0.00 0.00 +0.125 A ATOM 19 N LIG 1 -3.971 -1.392 -0.325 0.00 0.00 -0.240 NA ATOM 20 C LIG 1 -5.187 -1.982 -0.193 0.00 0.00 +0.121 A ATOM 21 C LIG 1 -5.834 -2.200 1.019 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -5.167 -1.766 2.164 0.00 0.00 +0.013 A ATOM 23 C LIG 1 -3.913 -1.156 2.059 0.00 0.00 +0.044 A BRANCH 21 24 ATOM 24 C LIG 1 -7.137 -2.832 1.103 0.00 0.00 +0.021 A ATOM 25 C LIG 1 -7.676 -3.688 0.162 0.00 0.00 +0.116 A ATOM 26 N LIG 1 -8.902 -4.060 0.636 0.00 0.00 -0.274 N ATOM 27 C LIG 1 -9.844 -4.952 0.006 0.00 0.00 +0.172 C ATOM 28 N LIG 1 -9.206 -3.509 1.823 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 -8.133 -2.766 2.107 0.00 0.00 +0.143 A ENDBRANCH 21 24 ENDBRANCH 15 18 ENDBRANCH 1 14 BRANCH 1 30 ATOM 30 N LIG 1 0.495 1.879 1.597 0.00 0.00 -0.302 NA ATOM 31 H LIG 1 0.621 1.566 2.562 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 1.705 2.558 1.128 0.00 0.00 +0.086 C BRANCH 32 33 ATOM 33 C LIG 1 1.579 3.280 -0.225 0.00 0.00 +0.050 C BRANCH 33 34 ATOM 34 C LIG 1 0.730 4.530 -0.170 0.00 0.00 -0.046 A ATOM 35 C LIG 1 -0.664 4.455 -0.292 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -1.446 5.611 -0.230 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -0.841 6.857 -0.044 0.00 0.00 +0.052 A ATOM 38 C LIG 1 0.548 6.940 0.082 0.00 0.00 +0.019 A ATOM 39 C LIG 1 1.329 5.783 0.022 0.00 0.00 +0.005 A BRANCH 37 40 ATOM 40 C LIG 1 -1.642 8.044 0.019 0.00 0.00 +0.099 C ATOM 41 N LIG 1 -2.288 9.008 0.066 0.00 0.00 -0.191 NA ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 14