REMARK Name = BDB024232 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.533 0.925 0.743 0.00 0.00 +0.171 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -1.814 4.687 -1.417 0.00 0.00 +0.120 A ATOM 3 C LIG 1 -1.460 3.516 -2.090 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -1.364 2.300 -1.409 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -1.615 2.235 -0.031 0.00 0.00 -0.021 A ATOM 6 C LIG 1 -1.982 3.415 0.637 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -2.078 4.631 -0.050 0.00 0.00 +0.046 A BRANCH 2 9 ATOM 8 C LIG 1 -2.215 7.026 -1.564 0.00 0.00 +0.277 C ATOM 9 O LIG 1 -1.871 5.803 -2.204 0.00 0.00 -0.495 OA ENDBRANCH 2 9 ENDBRANCH 1 5 BRANCH 1 10 ATOM 10 C LIG 1 -0.396 -0.028 0.257 0.00 0.00 +0.240 C ATOM 11 N LIG 1 0.860 0.509 0.483 0.00 0.00 -0.269 N ATOM 12 H LIG 1 0.937 1.448 0.853 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 -0.598 -1.125 -0.259 0.00 0.00 -0.273 OA BRANCH 11 14 ATOM 14 C LIG 1 2.108 -0.045 0.207 0.00 0.00 +0.125 A ATOM 15 N LIG 1 3.131 0.778 0.513 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 4.390 0.326 0.279 0.00 0.00 +0.121 A ATOM 17 C LIG 1 4.696 -0.925 -0.247 0.00 0.00 +0.003 A ATOM 18 C LIG 1 3.615 -1.751 -0.550 0.00 0.00 +0.013 A ATOM 19 C LIG 1 2.308 -1.311 -0.321 0.00 0.00 +0.044 A BRANCH 17 20 ATOM 20 C LIG 1 6.061 -1.357 -0.480 0.00 0.00 +0.021 A ATOM 21 C LIG 1 7.177 -0.881 0.178 0.00 0.00 +0.116 A ATOM 22 N LIG 1 8.246 -1.561 -0.333 0.00 0.00 -0.274 N ATOM 23 C LIG 1 9.631 -1.416 0.045 0.00 0.00 +0.172 C ATOM 24 N LIG 1 7.910 -2.450 -1.282 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 6.583 -2.328 -1.368 0.00 0.00 +0.143 A ENDBRANCH 17 20 ENDBRANCH 11 14 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 -2.842 0.255 0.904 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -3.464 0.871 1.425 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.505 -0.138 -0.345 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.826 -0.887 -0.075 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -4.764 -2.207 0.667 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -5.934 -2.689 1.276 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.942 -3.914 1.949 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.777 -4.683 2.015 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -3.612 -4.222 1.401 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -3.608 -2.996 0.727 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -4.781 -5.938 2.707 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -4.789 -6.954 3.268 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10