REMARK Name = BDB053725 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.619 0.562 0.001 0.00 0.00 +0.220 A ATOM 2 N LIG 1 -0.930 1.932 -0.032 0.00 0.00 -0.264 N ATOM 3 C LIG 1 -0.237 2.553 1.010 0.00 0.00 +0.149 A ATOM 4 C LIG 1 0.550 1.599 1.647 0.00 0.00 +0.035 A ATOM 5 C LIG 1 1.347 2.015 2.731 0.00 0.00 +0.014 A ATOM 6 C LIG 1 1.313 3.356 3.096 0.00 0.00 +0.020 A ATOM 7 C LIG 1 0.508 4.217 2.373 0.00 0.00 +0.113 A ATOM 8 N LIG 1 -0.271 3.870 1.328 0.00 0.00 -0.237 NA ATOM 9 C LIG 1 0.349 0.363 0.981 0.00 0.00 +0.108 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 0.999 -0.889 1.333 0.00 0.00 +0.252 C ATOM 11 N LIG 1 2.004 -1.338 0.483 0.00 0.00 -0.295 N ATOM 12 C LIG 1 2.711 -2.577 0.815 0.00 0.00 +0.123 C ATOM 13 C LIG 1 4.209 -2.475 0.485 0.00 0.00 +0.100 C ATOM 14 N LIG 1 4.511 -2.146 -0.920 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 5.347 -1.562 -0.944 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 3.398 -1.458 -1.589 0.00 0.00 +0.100 C ATOM 17 C LIG 1 2.520 -0.591 -0.669 0.00 0.00 +0.123 C ATOM 18 O LIG 1 0.696 -1.471 2.371 0.00 0.00 -0.270 OA ENDBRANCH 9 10 BRANCH 2 19 ATOM 19 C LIG 1 -1.817 2.580 -0.962 0.00 0.00 +0.051 A ATOM 20 C LIG 1 -2.492 3.757 -0.607 0.00 0.00 +0.026 A ATOM 21 C LIG 1 -3.357 4.385 -1.508 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.557 3.850 -2.777 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -2.889 2.687 -3.147 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -2.024 2.054 -2.248 0.00 0.00 +0.026 A ENDBRANCH 2 19 BRANCH 1 25 ATOM 25 O LIG 1 -1.262 -0.285 -0.818 0.00 0.00 -0.438 OA BRANCH 25 28 ATOM 26 C LIG 1 -2.953 -1.210 1.404 0.00 0.00 +0.050 C ATOM 27 C LIG 1 -2.169 -2.112 0.500 0.00 0.00 +0.027 A ATOM 28 C LIG 1 -1.360 -1.626 -0.536 0.00 0.00 +0.136 A ATOM 29 C LIG 1 -0.678 -2.501 -1.389 0.00 0.00 +0.047 A ATOM 30 C LIG 1 -0.739 -3.877 -1.175 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -1.497 -4.374 -0.119 0.00 0.00 +0.039 A ATOM 32 C LIG 1 -2.201 -3.495 0.703 0.00 0.00 +0.130 A ATOM 33 F LIG 1 -2.938 -4.008 1.700 0.00 0.00 -0.205 F ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 4