REMARK Name = BDB034261 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.723 1.488 1.352 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -3.601 2.300 1.369 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -3.546 3.493 1.594 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.458 1.451 1.016 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.937 0.171 0.747 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -2.063 -0.833 0.367 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -0.700 -0.527 0.283 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -0.235 0.778 0.526 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -1.122 1.788 0.908 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -4.419 0.128 0.921 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -10.127 2.295 0.659 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -8.927 2.258 0.912 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -8.429 1.387 1.848 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -9.105 0.753 2.252 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -7.109 1.067 2.071 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -6.825 0.085 2.754 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -6.076 2.026 1.457 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.578 2.507 0.094 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -7.931 3.180 0.252 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 0.121 -1.542 -0.130 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 1.276 -1.784 0.717 0.00 0.00 +0.190 C ATOM 22 C LIG 1 2.480 -2.169 -0.216 0.00 0.00 +0.097 C ATOM 23 C LIG 1 3.808 -2.449 0.531 0.00 0.00 +0.022 C ATOM 24 C LIG 1 3.752 -3.455 1.681 0.00 0.00 +0.002 C ATOM 25 C LIG 1 3.103 -2.874 2.930 0.00 0.00 +0.000 C ATOM 26 C LIG 1 1.589 -3.016 2.977 0.00 0.00 +0.004 C ATOM 27 C LIG 1 0.856 -2.938 1.645 0.00 0.00 +0.046 C BRANCH 22 28 ATOM 28 N LIG 1 2.571 -1.184 -1.331 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 3.566 -1.516 -2.358 0.00 0.00 +0.094 C ATOM 30 C LIG 1 4.473 -0.365 -1.854 0.00 0.00 +0.047 C ATOM 31 C LIG 1 3.248 0.078 -1.015 0.00 0.00 +0.094 C BRANCH 30 32 ATOM 32 C LIG 1 5.098 0.651 -2.909 0.00 0.00 -0.042 A ATOM 33 C LIG 1 6.477 0.943 -2.917 0.00 0.00 +0.004 A ATOM 34 C LIG 1 7.044 1.833 -3.834 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.241 2.463 -4.778 0.00 0.00 +0.000 A ATOM 36 C LIG 1 4.876 2.201 -4.803 0.00 0.00 +0.000 A ATOM 37 C LIG 1 4.319 1.310 -3.882 0.00 0.00 +0.004 A ENDBRANCH 30 32 ENDBRANCH 22 28 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5