REMARK Name = BDB024635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.508 1.109 1.283 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.555 1.446 0.305 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.785 2.613 -0.583 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.927 2.342 -1.579 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.562 3.057 -1.403 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.298 2.948 -0.583 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.144 1.510 -0.183 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.887 0.866 -0.198 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.330 1.363 -0.584 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.196 0.380 -0.438 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.580 -0.744 0.087 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.768 -0.455 0.212 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.875 -1.194 0.638 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.118 -0.547 0.654 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.275 0.789 0.262 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.420 0.200 2.101 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.216 -2.019 0.421 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.834 -3.123 -0.577 0.00 0.00 +0.031 C ATOM 19 C LIG 1 -1.572 -4.439 -0.270 0.00 0.00 +0.016 C ATOM 20 C LIG 1 -1.522 -4.820 1.222 0.00 0.00 +0.006 C ATOM 21 C LIG 1 -0.634 -3.904 2.058 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -1.022 -2.437 1.895 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.047 -5.582 -1.147 0.00 0.00 +0.159 C BRANCH 23 24 ATOM 24 O LIG 1 -1.209 -5.272 -2.525 0.00 0.00 -0.395 OA ATOM 25 H LIG 1 -2.164 -5.222 -2.704 0.00 0.00 +0.209 HD ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 27 ATOM 26 C LIG 1 7.571 1.671 2.266 0.00 0.00 +0.282 C ATOM 27 O LIG 1 6.583 1.954 1.274 0.00 0.00 -0.453 OA ENDBRANCH 1 27 BRANCH 10 28 ATOM 28 C LIG 1 -2.640 0.516 -0.819 0.00 0.00 +0.093 C BRANCH 28 29 ATOM 29 C LIG 1 -3.337 1.597 0.026 0.00 0.00 +0.135 C BRANCH 29 30 ATOM 30 C LIG 1 -4.604 2.085 -0.664 0.00 0.00 -0.033 A ATOM 31 C LIG 1 -5.783 1.323 -0.661 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -6.930 1.792 -1.304 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.910 3.018 -1.965 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.741 3.776 -1.989 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.593 3.312 -1.346 0.00 0.00 +0.004 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -3.618 1.097 1.440 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -3.452 -0.052 1.826 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -4.106 2.058 2.263 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -4.247 2.914 1.812 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 28 29 ENDBRANCH 10 28 TORSDOF 9