REMARK Name = BDB024919 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.611 -0.293 0.082 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.461 0.463 0.378 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.735 1.859 0.768 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.178 2.691 -0.448 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.571 2.521 1.501 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.312 2.430 0.666 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.038 0.993 0.324 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.704 0.574 0.110 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.441 1.325 0.145 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.446 0.493 -0.061 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -0.964 -0.783 -0.320 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.408 -0.756 -0.149 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.406 -1.728 -0.170 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.730 -1.302 0.024 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.086 0.042 0.218 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.746 0.055 0.405 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.781 -1.943 -0.687 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.897 -2.957 0.464 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.707 -4.210 0.101 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.273 -4.816 -1.236 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.223 -3.788 -2.365 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.337 -2.599 -2.006 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.206 -3.942 0.093 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.726 -2.897 -0.263 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.940 -5.010 0.478 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.418 -5.797 0.726 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.574 -2.133 -1.016 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.393 -1.412 -0.664 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.910 0.846 -0.017 0.00 0.00 +0.210 C BRANCH 29 30 ATOM 30 C LIG 1 -3.202 2.312 0.268 0.00 0.00 -0.010 A ATOM 31 C LIG 1 -2.952 2.852 1.551 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -3.233 4.204 1.782 0.00 0.00 +0.110 A ATOM 33 C LIG 1 -3.741 4.968 0.743 0.00 0.00 +0.155 A ATOM 34 O LIG 1 -3.928 6.237 1.211 0.00 0.00 -0.442 OA ATOM 35 C LIG 1 -3.520 6.161 2.510 0.00 0.00 +0.309 A ATOM 36 C LIG 1 -3.999 4.495 -0.536 0.00 0.00 +0.049 A ATOM 37 N LIG 1 -3.101 4.979 2.908 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -3.716 3.139 -0.752 0.00 0.00 +0.010 A ENDBRANCH 29 30 BRANCH 29 39 ATOM 39 O LIG 1 -3.503 0.033 0.998 0.00 0.00 -0.379 OA ATOM 40 H LIG 1 -4.344 0.457 1.242 0.00 0.00 +0.211 HD ENDBRANCH 29 39 ENDBRANCH 10 29 TORSDOF 7