REMARK Name = BDB000465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.644 0.401 -2.784 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.075 -0.947 -2.726 0.00 0.00 +0.082 C BRANCH 2 3 ATOM 3 C LIG 1 -1.324 -0.897 -1.847 0.00 0.00 +0.232 C BRANCH 3 4 ATOM 4 O LIG 1 -2.283 -0.035 -2.473 0.00 0.00 -0.492 OA BRANCH 4 9 ATOM 5 C LIG 1 -7.111 0.356 0.393 0.00 0.00 +0.030 C ATOM 6 C LIG 1 -5.900 0.162 -0.482 0.00 0.00 -0.040 A ATOM 7 C LIG 1 -4.738 0.609 0.158 0.00 0.00 -0.040 A ATOM 8 C LIG 1 -3.508 0.560 -0.477 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -3.454 0.021 -1.764 0.00 0.00 +0.121 A ATOM 10 C LIG 1 -4.617 -0.413 -2.414 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -5.050 1.161 1.512 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -5.854 -0.351 -1.769 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -6.434 0.548 1.771 0.00 0.00 +0.013 C BRANCH 5 14 ATOM 14 C LIG 1 -7.929 1.571 -0.050 0.00 0.00 +0.128 C BRANCH 14 16 ATOM 15 O LIG 1 -9.690 0.868 1.494 0.00 0.00 -0.251 OA ATOM 16 C LIG 1 -9.220 1.677 0.712 0.00 0.00 +0.305 C BRANCH 16 17 ATOM 17 O LIG 1 -9.880 2.818 0.429 0.00 0.00 -0.481 OA ATOM 18 H LIG 1 -10.697 2.762 0.966 0.00 0.00 +0.295 HD ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 5 14 ENDBRANCH 4 9 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 O LIG 1 1.077 0.823 -1.490 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 2.275 0.376 -1.010 0.00 0.00 +0.121 A ATOM 21 C LIG 1 2.606 0.861 0.257 0.00 0.00 +0.046 A ATOM 22 C LIG 1 3.803 0.486 0.877 0.00 0.00 +0.012 A ATOM 23 C LIG 1 4.698 -0.386 0.242 0.00 0.00 -0.018 A ATOM 24 C LIG 1 4.354 -0.868 -1.031 0.00 0.00 +0.012 A ATOM 25 C LIG 1 3.155 -0.493 -1.652 0.00 0.00 +0.046 A BRANCH 23 26 ATOM 26 C LIG 1 5.963 -0.779 0.885 0.00 0.00 -0.016 A ATOM 27 C LIG 1 6.884 0.201 1.304 0.00 0.00 +0.034 A ATOM 28 C LIG 1 8.082 -0.215 1.901 0.00 0.00 +0.047 A ATOM 29 C LIG 1 8.396 -1.558 2.102 0.00 0.00 -0.000 A ATOM 30 C LIG 1 9.672 -1.602 2.726 0.00 0.00 +0.027 A ATOM 31 C LIG 1 10.102 -0.305 2.892 0.00 0.00 +0.083 A ATOM 32 C LIG 1 7.473 -2.535 1.690 0.00 0.00 +0.010 A ATOM 33 N LIG 1 9.136 0.524 2.387 0.00 0.00 -0.361 N ATOM 34 H LIG 1 9.179 1.534 2.379 0.00 0.00 +0.165 HD ATOM 35 C LIG 1 6.272 -2.134 1.087 0.00 0.00 +0.009 A ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10