REMARK Name = BDB024974 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.563 -0.710 -0.863 0.00 0.00 +0.177 A ATOM 2 N LIG 1 -1.068 0.501 -0.400 0.00 0.00 -0.318 N ATOM 3 C LIG 1 0.315 0.433 -0.455 0.00 0.00 +0.070 A ATOM 4 C LIG 1 0.585 -0.808 -1.015 0.00 0.00 +0.095 A ATOM 5 C LIG 1 1.917 -1.220 -1.238 0.00 0.00 +0.002 A ATOM 6 C LIG 1 2.234 -2.540 -1.877 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.416 -3.126 -1.140 0.00 0.00 +0.027 C ATOM 8 C LIG 1 4.635 -2.197 -1.243 0.00 0.00 +0.082 C ATOM 9 C LIG 1 5.636 -2.641 -0.160 0.00 0.00 +0.028 C ATOM 10 N LIG 1 4.331 -0.749 -1.136 0.00 0.00 -0.234 N ATOM 11 C LIG 1 5.321 0.202 -1.445 0.00 0.00 +0.407 C ATOM 12 O LIG 1 5.194 1.421 -1.417 0.00 0.00 -0.226 OA ATOM 13 C LIG 1 2.970 -0.345 -0.890 0.00 0.00 +0.045 A ATOM 14 C LIG 1 2.659 0.896 -0.316 0.00 0.00 +0.026 A ATOM 15 C LIG 1 1.339 1.310 -0.090 0.00 0.00 +0.030 A ATOM 16 N LIG 1 -0.577 -1.481 -1.285 0.00 0.00 -0.224 NA ENDROOT BRANCH 2 17 ATOM 17 C LIG 1 -1.848 1.678 -0.017 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.691 2.043 1.472 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.043 3.510 1.772 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.078 4.061 0.792 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.576 4.027 -0.651 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.598 2.883 -0.936 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.559 3.662 3.185 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.310 2.904 3.777 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.122 4.792 3.772 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.530 4.776 4.663 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 2 17 BRANCH 1 29 ATOM 27 C LIG 1 -4.979 -1.731 -2.205 0.00 0.00 +0.039 C ATOM 28 C LIG 1 -3.534 -1.395 -2.033 0.00 0.00 +0.020 C ATOM 29 C LIG 1 -2.960 -1.003 -0.884 0.00 0.00 +0.167 C BRANCH 29 30 ATOM 30 O LIG 1 -3.690 -0.853 0.286 0.00 0.00 -0.453 OA BRANCH 30 31 ATOM 31 C LIG 1 -3.339 -1.579 1.404 0.00 0.00 +0.129 A ATOM 32 C LIG 1 -2.643 -2.789 1.375 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -2.355 -3.460 2.566 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -2.771 -2.929 3.787 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.482 -1.730 3.817 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -3.774 -1.062 2.627 0.00 0.00 +0.046 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 1 29 BRANCH 11 37 ATOM 37 O LIG 1 6.495 -0.381 -1.840 0.00 0.00 -0.453 OA ATOM 38 C LIG 1 7.529 0.540 -2.185 0.00 0.00 +0.282 C ENDBRANCH 11 37 TORSDOF 7