REMARK Name = BDB053391 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.244 -1.870 1.787 0.00 0.00 -0.294 N ATOM 2 C LIG 1 -0.765 -0.702 2.354 0.00 0.00 +0.221 C ATOM 3 O LIG 1 -0.127 -0.040 3.179 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.127 -0.205 1.850 0.00 0.00 +0.096 C ATOM 5 C LIG 1 -1.935 0.519 0.493 0.00 0.00 +0.033 C ATOM 6 C LIG 1 -1.552 2.003 0.663 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -2.335 2.732 1.748 0.00 0.00 +0.081 C ATOM 8 N LIG 1 -2.279 2.032 3.025 0.00 0.00 -0.315 NA ATOM 9 H LIG 1 -1.300 1.960 3.328 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -2.803 0.670 2.920 0.00 0.00 +0.094 C BRANCH 5 11 ATOM 11 C LIG 1 -3.081 0.295 -0.493 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -2.859 -0.314 -1.673 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -3.958 -0.575 -2.644 0.00 0.00 +0.251 A ATOM 14 O LIG 1 -3.703 -1.158 -3.694 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 -5.219 -0.130 -2.260 0.00 0.00 -0.318 N ATOM 16 C LIG 1 -6.351 -0.345 -3.147 0.00 0.00 +0.152 C ATOM 17 C LIG 1 -5.435 0.496 -1.047 0.00 0.00 +0.089 A ATOM 18 C LIG 1 -4.435 0.713 -0.185 0.00 0.00 +0.022 A ENDBRANCH 5 11 ENDBRANCH 2 4 BRANCH 1 19 ATOM 19 C LIG 1 -0.952 -2.707 0.844 0.00 0.00 +0.077 C ATOM 20 C LIG 1 -0.949 -4.214 0.969 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -2.209 -3.454 1.218 0.00 0.00 +0.024 C ENDBRANCH 1 19 BRANCH 1 22 ATOM 22 C LIG 1 1.195 -2.123 1.952 0.00 0.00 +0.143 C BRANCH 22 30 ATOM 23 C LIG 1 2.938 0.498 -0.192 0.00 0.00 -0.046 A ATOM 24 C LIG 1 3.396 -0.258 -1.272 0.00 0.00 +0.012 A ATOM 25 C LIG 1 3.179 -1.642 -1.338 0.00 0.00 -0.017 A ATOM 26 C LIG 1 2.485 -2.308 -0.294 0.00 0.00 -0.013 A ATOM 27 C LIG 1 2.317 -3.708 -0.426 0.00 0.00 +0.009 A ATOM 28 C LIG 1 2.793 -4.412 -1.535 0.00 0.00 +0.001 A ATOM 29 C LIG 1 3.460 -3.739 -2.548 0.00 0.00 +0.001 A ATOM 30 C LIG 1 2.008 -1.538 0.807 0.00 0.00 -0.022 A ATOM 31 C LIG 1 3.653 -2.363 -2.447 0.00 0.00 +0.008 A ATOM 32 C LIG 1 2.255 -0.149 0.839 0.00 0.00 +0.009 A BRANCH 23 33 ATOM 33 C LIG 1 3.195 1.984 -0.127 0.00 0.00 +0.037 C BRANCH 33 34 ATOM 34 C LIG 1 4.477 2.297 0.649 0.00 0.00 +0.033 C BRANCH 34 35 ATOM 35 C LIG 1 4.697 3.797 0.805 0.00 0.00 +0.160 C BRANCH 35 37 ATOM 36 C LIG 1 5.029 5.799 -0.390 0.00 0.00 +0.193 C ATOM 37 O LIG 1 4.839 4.393 -0.482 0.00 0.00 -0.383 OA ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 23 33 ENDBRANCH 22 30 ENDBRANCH 1 22 TORSDOF 9