REMARK Name = BDB059456 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.824 -1.510 -0.750 0.00 0.00 +0.075 C ATOM 2 C LIG 1 -2.603 -0.229 -0.396 0.00 0.00 +0.044 C ATOM 3 C LIG 1 -3.351 -0.307 0.948 0.00 0.00 +0.075 C ATOM 4 C LIG 1 -2.531 -1.092 1.976 0.00 0.00 +0.022 C ATOM 5 C LIG 1 -2.302 -2.538 1.537 0.00 0.00 +0.004 C ATOM 6 C LIG 1 -2.338 -2.729 0.018 0.00 0.00 +0.022 C ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 0.403 -0.664 -1.437 0.00 0.00 +0.244 C ATOM 8 N LIG 1 -0.388 -1.345 -0.532 0.00 0.00 -0.308 N ATOM 9 H LIG 1 -0.033 -1.472 0.407 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 -0.021 -0.199 -2.488 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 4.542 -0.037 -0.413 0.00 0.00 +0.034 A ATOM 12 C LIG 1 3.842 -1.109 0.146 0.00 0.00 +0.024 A ATOM 13 C LIG 1 2.496 -1.330 -0.177 0.00 0.00 +0.015 A ATOM 14 C LIG 1 1.832 -0.471 -1.059 0.00 0.00 +0.037 A ATOM 15 C LIG 1 2.534 0.593 -1.633 0.00 0.00 +0.015 A ATOM 16 C LIG 1 3.878 0.809 -1.310 0.00 0.00 +0.024 A BRANCH 11 18 ATOM 17 C LIG 1 6.736 -0.420 0.726 0.00 0.00 +0.241 C ATOM 18 N LIG 1 5.897 0.248 -0.142 0.00 0.00 -0.282 N ATOM 19 H LIG 1 6.284 1.041 -0.638 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 6.457 -1.375 1.439 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 9.053 -0.295 1.561 0.00 0.00 -0.007 C ATOM 22 C LIG 1 8.107 0.167 0.726 0.00 0.00 +0.064 C BRANCH 21 23 ATOM 23 C LIG 1 10.468 0.201 1.671 0.00 0.00 +0.111 C BRANCH 23 25 ATOM 24 C LIG 1 11.281 0.267 -0.608 0.00 0.00 +0.104 C ATOM 25 N LIG 1 10.907 1.066 0.565 0.00 0.00 -0.305 NA ATOM 26 C LIG 1 12.054 1.877 0.984 0.00 0.00 +0.104 C ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 27 ATOM 27 N LIG 1 -3.610 1.024 1.486 0.00 0.00 -0.311 N ATOM 28 H LIG 1 -2.802 1.621 1.621 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.574 1.783 0.847 0.00 0.00 +0.216 A ATOM 30 N LIG 1 -5.597 1.197 0.220 0.00 0.00 -0.213 NA ATOM 31 C LIG 1 -6.509 1.994 -0.390 0.00 0.00 +0.096 A ATOM 32 C LIG 1 -6.430 3.373 -0.366 0.00 0.00 +0.085 A ATOM 33 CL LIG 1 -7.573 4.456 -1.051 0.00 0.00 -0.080 Cl ATOM 34 C LIG 1 -5.337 3.873 0.304 0.00 0.00 +0.136 A ATOM 35 N LIG 1 -4.399 3.108 0.905 0.00 0.00 -0.221 NA BRANCH 31 36 ATOM 36 C LIG 1 -7.574 1.257 -1.057 0.00 0.00 +0.027 A ATOM 37 C LIG 1 -8.384 0.191 -0.547 0.00 0.00 +0.009 A ATOM 38 C LIG 1 -9.236 -0.214 -1.577 0.00 0.00 +0.047 A ATOM 39 C LIG 1 -10.180 -1.236 -1.421 0.00 0.00 +0.026 A ATOM 40 C LIG 1 -10.254 -1.868 -0.176 0.00 0.00 +0.002 A ATOM 41 C LIG 1 -9.415 -1.492 0.870 0.00 0.00 +0.001 A ATOM 42 N LIG 1 -8.939 0.558 -2.676 0.00 0.00 -0.360 N ATOM 43 H LIG 1 -9.394 0.475 -3.574 0.00 0.00 +0.165 HD ATOM 44 C LIG 1 -8.479 -0.466 0.698 0.00 0.00 +0.010 A ATOM 45 C LIG 1 -7.925 1.433 -2.383 0.00 0.00 +0.093 A ENDBRANCH 31 36 ENDBRANCH 27 29 ENDBRANCH 3 27 TORSDOF 9