REMARK Name = BDB049560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.730 -1.228 2.160 0.00 0.00 +0.049 C ATOM 2 C LIG 1 -2.147 -1.845 3.449 0.00 0.00 +0.245 C ATOM 3 O LIG 1 -3.264 -2.224 3.749 0.00 0.00 -0.270 OA ATOM 4 N LIG 1 -1.042 -1.926 4.256 0.00 0.00 -0.307 N ATOM 5 H LIG 1 -1.096 -2.325 5.183 0.00 0.00 +0.149 HD ATOM 6 C LIG 1 0.131 -1.417 3.627 0.00 0.00 +0.141 C ATOM 7 C LIG 1 -0.407 -1.009 2.293 0.00 0.00 -0.009 C ENDROOT BRANCH 7 8 ATOM 8 C LIG 1 0.531 -0.494 1.355 0.00 0.00 +0.006 A ATOM 9 C LIG 1 0.796 -0.952 0.028 0.00 0.00 +0.007 A ATOM 10 C LIG 1 1.778 -0.112 -0.509 0.00 0.00 +0.052 A ATOM 11 C LIG 1 2.272 -0.280 -1.813 0.00 0.00 +0.026 A ATOM 12 C LIG 1 1.752 -1.321 -2.587 0.00 0.00 +0.002 A ATOM 13 C LIG 1 0.777 -2.171 -2.077 0.00 0.00 +0.001 A ATOM 14 N LIG 1 2.096 0.814 0.466 0.00 0.00 -0.313 N ATOM 15 C LIG 1 0.297 -2.001 -0.775 0.00 0.00 +0.010 A ATOM 16 C LIG 1 1.356 0.582 1.599 0.00 0.00 +0.098 A BRANCH 14 17 ATOM 17 C LIG 1 3.040 1.916 0.303 0.00 0.00 +0.355 C BRANCH 17 18 ATOM 18 O LIG 1 4.353 1.373 0.334 0.00 0.00 -0.471 OA BRANCH 18 19 ATOM 19 C LIG 1 5.380 2.239 0.082 0.00 0.00 +0.123 A ATOM 20 C LIG 1 5.272 3.624 -0.059 0.00 0.00 +0.046 A ATOM 21 C LIG 1 6.413 4.393 -0.316 0.00 0.00 +0.004 A ATOM 22 C LIG 1 7.661 3.784 -0.429 0.00 0.00 +0.000 A ATOM 23 C LIG 1 7.774 2.403 -0.284 0.00 0.00 +0.004 A ATOM 24 C LIG 1 6.636 1.636 -0.029 0.00 0.00 +0.046 A ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 7 8 BRANCH 1 29 ATOM 25 C LIG 1 -4.457 -1.714 -0.428 0.00 0.00 +0.166 A ATOM 26 C LIG 1 -4.283 -0.565 -1.211 0.00 0.00 +0.204 A ATOM 27 C LIG 1 -3.282 0.356 -0.894 0.00 0.00 +0.166 A ATOM 28 C LIG 1 -2.484 0.173 0.234 0.00 0.00 +0.058 A ATOM 29 C LIG 1 -2.618 -0.981 1.016 0.00 0.00 -0.005 A ATOM 30 C LIG 1 -3.617 -1.913 0.677 0.00 0.00 +0.058 A BRANCH 25 32 ATOM 31 C LIG 1 -5.774 -3.640 0.061 0.00 0.00 +0.277 C ATOM 32 O LIG 1 -5.448 -2.576 -0.823 0.00 0.00 -0.491 OA ENDBRANCH 25 32 BRANCH 26 33 ATOM 33 O LIG 1 -5.054 -0.369 -2.332 0.00 0.00 -0.488 OA ATOM 34 C LIG 1 -6.215 0.386 -1.987 0.00 0.00 +0.277 C ENDBRANCH 26 33 BRANCH 27 35 ATOM 35 O LIG 1 -3.093 1.485 -1.650 0.00 0.00 -0.491 OA ATOM 36 C LIG 1 -2.163 1.201 -2.698 0.00 0.00 +0.277 C ENDBRANCH 27 35 ENDBRANCH 1 29 TORSDOF 8