REMARK Name = BDB015054 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.384 -0.035 -1.565 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.505 0.726 -1.222 0.00 0.00 +0.054 A ATOM 3 C LIG 1 2.797 0.165 -1.236 0.00 0.00 -0.011 A ATOM 4 C LIG 1 2.930 -1.183 -1.609 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.816 -1.944 -1.962 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.548 -1.368 -1.942 0.00 0.00 +0.045 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 3.971 0.975 -0.887 0.00 0.00 +0.025 A ATOM 8 C LIG 1 4.916 0.558 0.066 0.00 0.00 +0.144 A ATOM 9 O LIG 1 4.872 -0.608 0.779 0.00 0.00 -0.454 OA ATOM 10 C LIG 1 5.962 -0.631 1.591 0.00 0.00 +0.136 A ATOM 11 C LIG 1 6.723 0.518 1.418 0.00 0.00 +0.028 A ATOM 12 C LIG 1 7.895 0.665 2.183 0.00 0.00 +0.012 A ATOM 13 C LIG 1 8.246 -0.351 3.084 0.00 0.00 +0.001 A ATOM 14 C LIG 1 7.452 -1.492 3.227 0.00 0.00 +0.004 A ATOM 15 C LIG 1 6.283 -1.657 2.477 0.00 0.00 +0.047 A ATOM 16 C LIG 1 6.043 1.292 0.431 0.00 0.00 +0.029 A ATOM 17 C LIG 1 6.268 2.536 -0.186 0.00 0.00 +0.012 A ATOM 18 C LIG 1 5.354 2.991 -1.142 0.00 0.00 +0.001 A ATOM 19 C LIG 1 4.234 2.227 -1.481 0.00 0.00 +0.012 A ENDBRANCH 3 7 BRANCH 1 20 ATOM 20 O LIG 1 -0.910 0.406 -1.583 0.00 0.00 -0.489 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.177 1.670 -0.972 0.00 0.00 +0.261 C BRANCH 21 22 ATOM 22 C LIG 1 -2.695 1.915 -0.900 0.00 0.00 +0.166 C BRANCH 22 23 ATOM 23 O LIG 1 -3.229 1.967 -2.229 0.00 0.00 -0.387 OA ATOM 24 H LIG 1 -3.123 1.047 -2.550 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -3.455 0.857 -0.062 0.00 0.00 +0.119 C BRANCH 25 26 ATOM 26 N LIG 1 -3.690 -0.399 -0.805 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -5.070 -0.492 -1.324 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -6.117 -0.884 -0.301 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -5.760 -1.544 0.888 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -6.754 -1.923 1.800 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -8.097 -1.667 1.525 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -8.456 -1.029 0.340 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.308 -1.791 1.211 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -7.473 -0.642 -0.570 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -3.389 -1.596 -0.004 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7