REMARK Name = BDB016759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.351 2.379 -1.359 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.902 2.244 -2.686 0.00 0.00 +0.031 A ATOM 3 C LIG 1 3.534 2.051 -2.918 0.00 0.00 +0.067 A ATOM 4 C LIG 1 2.591 1.990 -1.901 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.340 1.771 -2.565 0.00 0.00 +0.100 A ATOM 6 N LIG 1 1.504 1.739 -3.899 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 3.028 2.158 -0.575 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.824 1.896 -4.074 0.00 0.00 -0.276 N ATOM 9 H LIG 1 3.183 1.893 -5.021 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 4.396 2.353 -0.328 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.967 -1.792 0.661 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.232 -0.666 -0.132 0.00 0.00 +0.052 A ATOM 13 C LIG 1 7.115 0.300 0.327 0.00 0.00 -0.007 A ATOM 14 C LIG 1 7.624 1.593 -0.246 0.00 0.00 +0.081 C ATOM 15 C LIG 1 6.814 2.593 -1.046 0.00 0.00 +0.040 C ATOM 16 C LIG 1 8.607 2.090 0.790 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.603 1.174 1.826 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.183 1.276 2.644 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 9.267 3.112 0.704 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 7.885 1.756 -1.716 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.735 0.111 1.570 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.501 -0.983 2.376 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.600 -1.945 1.909 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.758 -3.834 0.863 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.075 -2.672 0.107 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 0.014 1.606 -1.970 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -0.175 0.834 -0.822 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -1.452 0.687 -0.260 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -2.584 1.288 -0.832 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -2.371 2.065 -1.982 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -1.099 2.217 -2.550 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 -3.876 1.171 -0.294 0.00 0.00 -0.327 N ATOM 33 C LIG 1 -4.019 0.619 1.067 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -5.474 0.766 1.570 0.00 0.00 +0.103 C ATOM 35 N LIG 1 -6.506 0.144 0.699 0.00 0.00 -0.296 NA ATOM 36 C LIG 1 -6.319 0.751 -0.649 0.00 0.00 +0.103 C ATOM 37 C LIG 1 -4.891 0.659 -1.245 0.00 0.00 +0.120 C BRANCH 35 38 ATOM 38 C LIG 1 -6.468 -1.342 0.669 0.00 0.00 +0.057 C ATOM 39 C LIG 1 -6.343 -1.961 2.088 0.00 0.00 +0.019 C ATOM 40 C LIG 1 -6.777 -3.422 2.117 0.00 0.00 +0.002 C ATOM 41 C LIG 1 -8.261 -3.567 1.786 0.00 0.00 +0.000 C ATOM 42 C LIG 1 -8.782 -2.444 0.892 0.00 0.00 +0.002 C ATOM 43 C LIG 1 -7.704 -1.942 -0.062 0.00 0.00 +0.019 C ENDBRANCH 35 38 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 5