REMARK Name = BDB018482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.071 -4.792 -0.931 0.00 0.00 +0.152 C ATOM 2 N LIG 1 -0.209 -3.560 -0.210 0.00 0.00 -0.317 N ATOM 3 C LIG 1 -1.481 -3.348 0.304 0.00 0.00 +0.255 A ATOM 4 O LIG 1 -2.423 -4.130 0.200 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 -1.679 -2.073 1.032 0.00 0.00 +0.116 A ATOM 6 C LIG 1 -0.676 -1.193 1.185 0.00 0.00 +0.135 A ATOM 7 C LIG 1 0.659 -1.486 0.634 0.00 0.00 +0.043 A ATOM 8 C LIG 1 0.816 -2.647 -0.034 0.00 0.00 +0.101 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 1.765 -0.582 0.794 0.00 0.00 +0.025 A ATOM 10 C LIG 1 2.694 -0.237 -0.165 0.00 0.00 +0.123 A ATOM 11 N LIG 1 3.575 0.660 0.413 0.00 0.00 -0.238 N ATOM 12 N LIG 1 3.252 0.878 1.706 0.00 0.00 -0.174 NA ATOM 13 C LIG 1 2.164 0.142 1.928 0.00 0.00 +0.143 A BRANCH 11 14 ATOM 14 C LIG 1 4.698 1.306 -0.194 0.00 0.00 +0.083 A ATOM 15 C LIG 1 5.520 2.213 0.510 0.00 0.00 +0.077 A ATOM 16 C LIG 1 6.611 2.810 -0.154 0.00 0.00 +0.021 A ATOM 17 C LIG 1 6.892 2.523 -1.488 0.00 0.00 +0.001 A ATOM 18 C LIG 1 6.085 1.633 -2.182 0.00 0.00 +0.002 A ATOM 19 C LIG 1 4.997 1.029 -1.544 0.00 0.00 +0.029 A BRANCH 15 20 ATOM 20 C LIG 1 5.345 2.605 1.885 0.00 0.00 +0.101 C ATOM 21 N LIG 1 5.303 2.995 2.979 0.00 0.00 -0.191 NA ENDBRANCH 15 20 ENDBRANCH 11 14 ENDBRANCH 7 9 BRANCH 6 22 ATOM 22 O LIG 1 -0.765 0.024 1.822 0.00 0.00 -0.490 OA BRANCH 22 23 ATOM 23 C LIG 1 -2.022 0.538 2.268 0.00 0.00 +0.244 C BRANCH 23 24 ATOM 24 C LIG 1 -2.721 1.359 1.167 0.00 0.00 +0.125 C BRANCH 24 25 ATOM 25 N LIG 1 -3.524 0.549 0.233 0.00 0.00 -0.295 NA ATOM 26 C LIG 1 -4.816 0.109 0.805 0.00 0.00 +0.112 C ATOM 27 C LIG 1 -6.020 0.933 0.318 0.00 0.00 +0.175 C ATOM 28 O LIG 1 -6.181 0.915 -1.106 0.00 0.00 -0.377 OA ATOM 29 C LIG 1 -4.946 0.727 -1.810 0.00 0.00 +0.175 C ATOM 30 C LIG 1 -3.739 1.277 -1.036 0.00 0.00 +0.112 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 7