REMARK Name = BDB024847 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.557 -4.345 -0.108 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.253 -3.147 0.560 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -6.298 -2.449 1.349 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.642 -3.229 2.631 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.948 -1.011 1.768 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -5.189 -0.302 0.669 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.929 -1.079 0.425 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.689 -0.441 0.212 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -2.391 0.901 0.211 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.097 0.987 -0.017 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.548 -0.267 -0.202 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -1.552 -1.196 -0.044 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.577 -2.591 -0.095 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.814 -3.215 0.110 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.988 -2.490 0.362 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.801 -4.986 -0.832 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.224 -5.933 -0.595 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.853 -4.736 0.090 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 0.822 -0.561 -0.587 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 1.778 -0.506 0.584 0.00 0.00 +0.233 C ATOM 21 N LIG 1 2.861 0.337 0.409 0.00 0.00 -0.311 N ATOM 22 H LIG 1 2.875 0.968 -0.396 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 1.616 -1.177 1.601 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 3.858 0.525 1.458 0.00 0.00 +0.073 C ATOM 25 C LIG 1 4.649 1.816 1.236 0.00 0.00 +0.022 C ATOM 26 C LIG 1 5.572 1.773 0.013 0.00 0.00 +0.007 C ATOM 27 C LIG 1 6.011 0.354 -0.389 0.00 0.00 +0.015 C ATOM 28 C LIG 1 6.130 -0.541 0.843 0.00 0.00 +0.007 C ATOM 29 C LIG 1 4.795 -0.692 1.580 0.00 0.00 +0.022 C BRANCH 27 30 ATOM 30 C LIG 1 7.320 0.383 -1.185 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 O LIG 1 7.176 1.177 -2.355 0.00 0.00 -0.395 OA ATOM 32 H LIG 1 6.470 0.778 -2.892 0.00 0.00 +0.209 HD ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 33 ATOM 33 C LIG 1 -0.329 2.265 -0.074 0.00 0.00 +0.096 C BRANCH 33 34 ATOM 34 C LIG 1 -0.260 2.808 -1.502 0.00 0.00 +0.132 C BRANCH 34 35 ATOM 35 N LIG 1 0.757 3.851 -1.644 0.00 0.00 -0.315 N ATOM 36 C LIG 1 2.097 3.464 -1.712 0.00 0.00 +0.251 A ATOM 37 O LIG 1 2.488 2.299 -1.630 0.00 0.00 -0.268 OA ATOM 38 C LIG 1 3.087 4.563 -1.875 0.00 0.00 +0.070 A ATOM 39 C LIG 1 2.676 5.837 -1.908 0.00 0.00 +0.007 A ATOM 40 C LIG 1 1.277 6.159 -1.789 0.00 0.00 +0.018 A ATOM 41 C LIG 1 0.372 5.180 -1.665 0.00 0.00 +0.089 A ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 10 33 TORSDOF 9