REMARK Name = BDB024980 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.350 0.891 -0.564 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.173 1.435 -0.032 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.296 2.783 0.545 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.928 3.862 -0.478 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.515 2.889 1.851 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.047 2.593 1.627 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.833 1.375 0.771 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.555 0.771 0.740 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.428 1.118 1.437 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 -0.503 0.255 1.085 0.00 0.00 +0.123 A ATOM 11 N LIG 1 -0.029 -0.637 0.149 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.302 -0.320 -0.078 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.286 -0.859 -0.907 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.551 -0.255 -0.877 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.862 0.832 -0.043 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.366 1.552 -0.773 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.706 -1.756 -0.497 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.550 -3.060 0.311 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.642 -4.093 -0.007 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.084 -4.025 -1.470 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.667 -2.654 -1.828 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.156 -1.521 -0.930 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.220 -5.490 0.405 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.727 -6.090 1.341 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -0.221 -6.024 -0.328 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 0.128 -5.458 -1.039 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 -1.945 0.385 1.715 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -2.487 -0.747 2.567 0.00 0.00 +0.022 C ATOM 29 C LIG 1 -1.990 0.492 3.238 0.00 0.00 +0.022 C BRANCH 27 30 ATOM 30 C LIG 1 -2.876 1.306 0.944 0.00 0.00 +0.073 A ATOM 31 N LIG 1 -4.042 0.809 0.438 0.00 0.00 -0.252 NA ATOM 32 C LIG 1 -4.873 1.646 -0.244 0.00 0.00 +0.063 A ATOM 33 C LIG 1 -4.504 2.982 -0.404 0.00 0.00 +0.134 A ATOM 34 N LIG 1 -3.358 3.517 0.079 0.00 0.00 -0.260 NA ATOM 35 C LIG 1 -2.565 2.652 0.750 0.00 0.00 +0.135 A BRANCH 32 36 ATOM 36 C LIG 1 -6.154 1.049 -0.789 0.00 0.00 +0.039 C ATOM 37 C LIG 1 -7.430 1.847 -0.902 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -6.693 1.436 -2.145 0.00 0.00 +0.010 C ENDBRANCH 32 36 ENDBRANCH 27 30 ENDBRANCH 10 27 BRANCH 1 40 ATOM 39 C LIG 1 7.539 -1.021 -1.230 0.00 0.00 +0.282 C ATOM 40 O LIG 1 6.314 -0.457 -0.759 0.00 0.00 -0.453 OA ENDBRANCH 1 40 TORSDOF 7