REMARK Name = BDB024916 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.321 -0.906 0.591 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.060 -1.362 1.016 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.918 -2.723 1.590 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.576 -2.814 2.979 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.471 -3.219 1.738 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.630 -2.781 0.561 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.650 -1.282 0.530 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.492 -0.529 0.241 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.779 -0.973 -0.020 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.516 0.101 -0.225 0.00 0.00 +0.140 A ATOM 11 N LIG 1 -0.744 1.247 -0.114 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.547 0.857 0.189 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.738 1.554 0.409 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.886 0.800 0.686 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.869 -0.600 0.746 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.564 0.173 0.061 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.211 2.622 -0.293 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.129 3.444 1.000 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.785 4.823 0.839 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -1.656 5.405 -0.578 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.454 4.840 -1.327 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.553 3.324 -1.496 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.188 5.768 1.857 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.155 6.406 1.744 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.917 5.831 2.987 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.420 6.452 3.561 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.603 -1.435 0.353 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.303 -1.838 0.789 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.983 0.102 -0.552 0.00 0.00 +0.180 C BRANCH 29 30 ATOM 30 O LIG 1 -3.113 0.563 -1.893 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -2.526 -0.000 -2.430 0.00 0.00 +0.210 HD ENDBRANCH 29 30 BRANCH 29 32 ATOM 32 C LIG 1 -3.675 -1.256 -0.343 0.00 0.00 +0.042 C BRANCH 32 33 ATOM 33 C LIG 1 -3.386 -2.347 -1.389 0.00 0.00 -0.008 C ATOM 34 C LIG 1 -3.853 -3.726 -0.907 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -4.048 -4.506 -2.196 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -4.735 -3.494 -3.097 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -4.106 -2.149 -2.736 0.00 0.00 +0.003 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 10 29 TORSDOF 8