REMARK Name = BDB024315 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.071 -1.284 0.280 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.347 -2.279 -0.841 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.679 -3.606 -0.520 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.928 -4.543 -1.524 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.840 -4.170 -2.863 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.498 -2.863 -3.200 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.247 -1.924 -2.196 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.452 -1.205 0.574 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.053 -0.162 -0.108 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.406 0.422 -0.626 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.992 -2.016 1.322 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.403 0.180 -0.086 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.285 -0.540 0.626 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 4.586 -0.156 0.605 0.00 0.00 +0.123 A ATOM 15 C LIG 1 5.073 0.935 -0.102 0.00 0.00 +0.022 A ATOM 16 C LIG 1 4.136 1.669 -0.832 0.00 0.00 +0.015 A ATOM 17 C LIG 1 2.791 1.291 -0.826 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.484 1.301 -0.087 0.00 0.00 +0.114 A ATOM 19 N LIG 1 6.960 2.376 -0.744 0.00 0.00 -0.152 NA ATOM 20 N LIG 1 8.276 2.326 -0.465 0.00 0.00 -0.186 N ATOM 21 C LIG 1 9.178 3.329 -0.974 0.00 0.00 +0.197 C ATOM 22 N LIG 1 8.713 1.329 0.322 0.00 0.00 -0.160 NA ATOM 23 C LIG 1 7.576 0.671 0.561 0.00 0.00 +0.164 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.622 0.067 -0.049 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.545 -0.085 -0.466 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -1.809 0.911 1.149 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -3.094 1.505 3.247 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -3.002 0.530 2.067 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.323 0.453 1.313 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.894 1.583 0.708 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.096 1.483 0.003 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.745 0.250 -0.109 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.184 -0.882 0.488 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.982 -0.780 1.194 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.976 0.147 -0.835 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -8.973 0.068 -1.425 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9