REMARK Name = BDB046162 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.081 2.042 -0.135 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -3.088 1.074 -0.004 0.00 0.00 +0.174 A ATOM 3 C LIG 1 -3.162 0.128 1.000 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -4.340 -0.621 0.696 0.00 0.00 +0.121 A ATOM 5 N LIG 1 -4.934 -0.134 -0.407 0.00 0.00 -0.077 NA ATOM 6 C LIG 1 -2.170 0.135 1.994 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -1.138 1.082 1.910 0.00 0.00 +0.047 A ATOM 8 O LIG 1 -4.146 0.912 -0.842 0.00 0.00 -0.354 OA ATOM 9 C LIG 1 -1.081 2.015 0.866 0.00 0.00 +0.127 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -4.908 -1.759 1.414 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -4.087 -2.780 1.913 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -4.642 -3.862 2.602 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.020 -3.936 2.794 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -6.847 -2.933 2.292 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.295 -1.851 1.603 0.00 0.00 +0.010 A ENDBRANCH 4 10 BRANCH 1 16 ATOM 16 C LIG 1 -2.066 3.032 -1.272 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -1.549 1.399 -3.167 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -1.120 2.651 -2.415 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 9 19 ATOM 19 O LIG 1 -0.091 2.954 0.716 0.00 0.00 -0.491 OA BRANCH 19 20 ATOM 20 C LIG 1 0.983 3.016 1.655 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 C LIG 1 2.072 1.998 1.334 0.00 0.00 +0.082 C BRANCH 21 22 ATOM 22 C LIG 1 2.681 2.228 -0.047 0.00 0.00 +0.232 C BRANCH 22 23 ATOM 23 O LIG 1 3.604 1.179 -0.352 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 3.167 0.145 -1.138 0.00 0.00 +0.124 A ATOM 25 C LIG 1 4.173 -0.637 -1.737 0.00 0.00 -0.005 A ATOM 26 C LIG 1 3.808 -1.732 -2.538 0.00 0.00 +0.007 A ATOM 27 C LIG 1 2.466 -2.052 -2.735 0.00 0.00 +0.000 A ATOM 28 C LIG 1 1.476 -1.284 -2.132 0.00 0.00 +0.004 A ATOM 29 C LIG 1 1.824 -0.192 -1.333 0.00 0.00 +0.046 A BRANCH 25 30 ATOM 30 C LIG 1 5.642 -0.340 -1.522 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 6.135 -0.731 -0.134 0.00 0.00 +0.125 C BRANCH 31 32 ATOM 32 C LIG 1 6.256 -2.224 0.017 0.00 0.00 +0.305 C ATOM 33 O LIG 1 7.293 -2.843 -0.165 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 5.102 -2.832 0.369 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 4.337 -2.223 0.400 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 9 19 TORSDOF 13