REMARK Name = BDB024912 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.522 0.258 -0.594 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.406 -0.578 -0.415 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.613 -2.041 -0.370 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.944 -2.506 1.053 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.443 -2.803 -0.986 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.157 -2.480 -0.262 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.973 -0.996 -0.117 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.674 -0.492 0.128 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.496 -1.183 0.254 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.448 -0.303 0.496 0.00 0.00 +0.139 A ATOM 11 N LIG 1 -0.922 0.980 0.478 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.448 0.865 0.279 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.494 1.784 0.209 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.785 1.282 -0.019 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.060 -0.085 -0.189 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.516 1.476 -0.733 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.622 2.250 0.645 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.485 3.192 -0.572 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -1.420 4.675 -0.191 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -2.366 5.041 0.955 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.132 4.184 2.212 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.274 2.939 1.971 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -3.807 4.940 0.473 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.488 3.929 0.547 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.262 6.074 -0.102 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.620 6.809 -0.122 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 -2.936 -0.860 0.739 0.00 0.00 +0.122 C ATOM 28 C LIG 1 -4.108 -0.110 0.121 0.00 0.00 +0.041 C ATOM 29 C LIG 1 -3.909 -0.077 1.609 0.00 0.00 +0.041 C BRANCH 27 30 ATOM 30 N LIG 1 -2.999 -2.373 0.799 0.00 0.00 -0.250 N ATOM 31 C LIG 1 -2.967 -3.194 -0.307 0.00 0.00 +0.070 A ATOM 32 C LIG 1 -3.173 -4.478 0.192 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -3.187 -5.569 -0.694 0.00 0.00 +0.011 A ATOM 34 C LIG 1 -2.994 -5.333 -2.061 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -2.787 -4.040 -2.540 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -3.329 -4.300 1.585 0.00 0.00 +0.143 A ATOM 37 C LIG 1 -2.769 -2.942 -1.673 0.00 0.00 +0.028 A ATOM 38 N LIG 1 -3.254 -3.022 1.960 0.00 0.00 -0.178 NA ENDBRANCH 27 30 ENDBRANCH 10 27 BRANCH 1 40 ATOM 39 C LIG 1 7.869 0.353 -0.796 0.00 0.00 +0.282 C ATOM 40 O LIG 1 6.698 -0.445 -0.614 0.00 0.00 -0.453 OA ENDBRANCH 1 40 TORSDOF 6