REMARK Name = BDB058144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.137 0.861 0.666 0.00 0.00 +0.085 A ATOM 2 C LIG 1 -2.607 2.196 0.655 0.00 0.00 +0.199 A ATOM 3 N LIG 1 -1.789 3.158 0.107 0.00 0.00 -0.195 N ATOM 4 C LIG 1 -2.492 4.333 0.220 0.00 0.00 +0.152 A ATOM 5 N LIG 1 -3.654 4.096 0.799 0.00 0.00 -0.132 NA ATOM 6 C LIG 1 -1.973 5.633 -0.250 0.00 0.00 +0.090 C ATOM 7 N LIG 1 -0.545 2.987 -0.426 0.00 0.00 -0.163 NA ATOM 8 C LIG 1 -0.129 1.755 -0.387 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -3.727 2.748 1.074 0.00 0.00 -0.126 NA ATOM 10 C LIG 1 -0.927 0.606 0.146 0.00 0.00 +0.057 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 1.227 1.433 -0.921 0.00 0.00 +0.004 A ATOM 12 C LIG 1 2.018 0.423 -0.365 0.00 0.00 +0.034 A ATOM 13 C LIG 1 3.280 0.145 -0.898 0.00 0.00 +0.051 A ATOM 14 C LIG 1 3.771 0.869 -1.996 0.00 0.00 -0.028 A ATOM 15 C LIG 1 5.104 0.564 -2.620 0.00 0.00 +0.046 C ATOM 16 C LIG 1 2.982 1.899 -2.528 0.00 0.00 +0.006 A ATOM 17 C LIG 1 1.723 2.183 -1.993 0.00 0.00 +0.010 A BRANCH 13 18 ATOM 18 N LIG 1 4.015 -0.948 -0.342 0.00 0.00 -0.221 N ATOM 19 H LIG 1 5.031 -0.836 -0.348 0.00 0.00 +0.173 HD BRANCH 18 20 ATOM 20 S LIG 1 3.644 -2.494 -0.937 0.00 0.00 +0.040 S ATOM 21 O LIG 1 4.917 -3.177 -1.040 0.00 0.00 -0.155 OA ATOM 22 O LIG 1 2.743 -2.397 -2.063 0.00 0.00 -0.155 OA ATOM 23 C LIG 1 2.767 -3.188 0.447 0.00 0.00 +0.218 C ENDBRANCH 18 20 ENDBRANCH 13 18 ENDBRANCH 8 11 BRANCH 1 25 ATOM 24 C LIG 1 -2.786 -1.407 1.411 0.00 0.00 +0.405 C ATOM 25 N LIG 1 -2.989 -0.073 1.206 0.00 0.00 -0.248 N ATOM 26 H LIG 1 -3.891 0.267 1.529 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 -1.772 -2.043 1.159 0.00 0.00 -0.226 OA BRANCH 24 28 ATOM 28 O LIG 1 -3.907 -1.936 1.965 0.00 0.00 -0.450 OA BRANCH 28 30 ATOM 29 C LIG 1 -5.150 -3.779 2.840 0.00 0.00 +0.048 C ATOM 30 C LIG 1 -3.831 -3.341 2.234 0.00 0.00 +0.230 C ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 1 25 TORSDOF 6