REMARK Name = BDB025084 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.489 -0.249 1.360 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.295 -0.935 1.649 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.353 -2.128 2.518 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.243 -1.736 3.997 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.331 -3.183 2.105 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.931 -2.619 2.161 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.843 -1.301 1.445 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.575 -0.839 1.017 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.645 -1.450 1.150 0.00 0.00 -0.230 NA ATOM 10 C LIG 1 -1.530 -0.659 0.569 0.00 0.00 +0.134 A ATOM 11 N LIG 1 -0.911 0.494 0.106 0.00 0.00 -0.323 N ATOM 12 C LIG 1 0.442 0.376 0.365 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.545 1.187 0.105 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.799 0.731 0.538 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.986 -0.493 1.203 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.629 0.698 0.595 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.565 1.635 -0.530 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.427 2.935 0.275 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.312 4.046 -0.314 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.450 3.979 -1.843 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.280 3.251 -2.496 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.166 1.806 -2.008 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.778 5.402 0.089 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.619 5.778 0.028 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.748 6.230 0.523 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.274 7.061 0.740 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.805 -0.118 1.774 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.561 -0.767 2.040 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -3.007 -0.961 0.454 0.00 0.00 +0.153 C ATOM 30 C LIG 1 -3.422 -2.189 1.270 0.00 0.00 +0.039 C BRANCH 29 31 ATOM 31 N LIG 1 -3.445 -1.096 -0.945 0.00 0.00 -0.302 N ATOM 32 C LIG 1 -2.890 -1.914 -1.918 0.00 0.00 +0.053 A ATOM 33 C LIG 1 -3.634 -1.722 -3.087 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -3.278 -2.427 -4.254 0.00 0.00 +0.010 A ATOM 35 C LIG 1 -2.192 -3.306 -4.226 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -1.466 -3.490 -3.055 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -4.662 -0.790 -2.789 0.00 0.00 +0.075 A ATOM 38 C LIG 1 -1.801 -2.802 -1.884 0.00 0.00 +0.026 A ATOM 39 C LIG 1 -4.533 -0.426 -1.470 0.00 0.00 +0.194 A BRANCH 39 40 ATOM 40 O LIG 1 -5.253 0.407 -0.728 0.00 0.00 -0.493 OA ATOM 41 H LIG 1 -6.004 0.705 -1.274 0.00 0.00 +0.294 HD ENDBRANCH 39 40 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7