REMARK Name = BDB022880 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.293 4.962 1.505 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -1.328 3.773 1.466 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -1.780 2.758 0.479 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -2.812 1.908 0.851 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -3.364 2.050 1.949 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -0.991 2.657 -0.748 0.00 0.00 +0.163 C ATOM 7 C LIG 1 0.466 2.464 -0.410 0.00 0.00 +0.067 A ATOM 8 C LIG 1 0.993 3.260 0.589 0.00 0.00 -0.005 A ATOM 9 C LIG 1 2.321 3.060 0.860 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.068 2.138 0.224 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 2.469 1.406 -0.727 0.00 0.00 +0.216 A ATOM 12 N LIG 1 1.181 1.532 -1.072 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 0.122 4.286 1.240 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.299 0.778 -0.067 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -2.261 -0.369 -0.176 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -2.000 -0.880 -1.612 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -3.163 -0.735 -2.500 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -2.885 -1.353 -3.799 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.474 0.683 -2.666 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -3.949 1.305 -1.358 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -2.629 -1.511 0.775 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -1.979 -1.622 2.015 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -2.309 -2.647 2.902 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.297 -3.571 2.566 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.959 -3.466 1.346 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.631 -2.440 0.457 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 3.174 0.433 -1.417 0.00 0.00 -0.310 N ATOM 28 H LIG 1 2.480 -0.157 -1.863 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 4.191 -0.274 -0.644 0.00 0.00 +0.082 C ATOM 30 C LIG 1 3.586 -1.162 0.472 0.00 0.00 +0.058 C ATOM 31 C LIG 1 4.561 -2.296 0.530 0.00 0.00 -0.042 A ATOM 32 C LIG 1 5.355 -2.335 -0.620 0.00 0.00 -0.042 A ATOM 33 C LIG 1 6.303 -3.328 -0.800 0.00 0.00 +0.004 A ATOM 34 C LIG 1 6.456 -4.287 0.203 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.658 -4.249 1.357 0.00 0.00 +0.000 A ATOM 36 C LIG 1 4.697 -3.250 1.524 0.00 0.00 +0.004 A ATOM 37 C LIG 1 4.989 -1.232 -1.563 0.00 0.00 +0.058 C ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 4