REMARK Name = BDB044077 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.090 0.480 0.593 0.00 0.00 +0.029 A ATOM 2 C LIG 1 -2.368 -0.128 0.343 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -3.351 0.759 0.770 0.00 0.00 +0.055 A ATOM 4 N LIG 1 -2.697 1.872 1.249 0.00 0.00 -0.357 N ATOM 5 H LIG 1 -3.166 2.698 1.594 0.00 0.00 +0.166 HD ATOM 6 C LIG 1 -1.337 1.723 1.157 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -0.414 2.797 1.611 0.00 0.00 +0.064 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 2.803 -0.911 -0.146 0.00 0.00 +0.085 A ATOM 9 C LIG 1 2.400 0.385 -0.473 0.00 0.00 +0.086 A ATOM 10 N LIG 1 1.137 0.824 -0.210 0.00 0.00 -0.246 NA ATOM 11 C LIG 1 0.252 -0.039 0.347 0.00 0.00 +0.074 A ATOM 12 C LIG 1 0.582 -1.350 0.670 0.00 0.00 +0.029 A ATOM 13 C LIG 1 1.876 -1.793 0.416 0.00 0.00 +0.019 A BRANCH 9 14 ATOM 14 C LIG 1 3.249 1.381 -1.151 0.00 0.00 +0.001 A ATOM 15 C LIG 1 3.913 1.092 -2.357 0.00 0.00 +0.010 A ATOM 16 C LIG 1 4.717 2.048 -2.984 0.00 0.00 +0.001 A ATOM 17 C LIG 1 4.864 3.314 -2.422 0.00 0.00 +0.000 A ATOM 18 C LIG 1 4.202 3.628 -1.238 0.00 0.00 +0.001 A ATOM 19 C LIG 1 3.399 2.671 -0.612 0.00 0.00 +0.010 A ENDBRANCH 9 14 BRANCH 8 20 ATOM 20 C LIG 1 4.171 -1.403 -0.359 0.00 0.00 +0.341 C ATOM 21 O LIG 1 4.428 -2.434 -0.957 0.00 0.00 -0.245 OA BRANCH 20 22 ATOM 22 O LIG 1 5.041 -0.581 0.273 0.00 0.00 -0.461 OA BRANCH 22 24 ATOM 23 C LIG 1 6.817 -1.894 1.260 0.00 0.00 +0.048 C ATOM 24 C LIG 1 6.427 -0.932 0.155 0.00 0.00 +0.229 C ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 8 20 ENDBRANCH 1 11 BRANCH 2 25 ATOM 25 C LIG 1 -2.655 -1.418 -0.271 0.00 0.00 -0.015 A ATOM 26 C LIG 1 -3.391 -2.390 0.417 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -3.647 -3.629 -0.174 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -3.165 -3.904 -1.454 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -2.430 -2.942 -2.145 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -2.176 -1.702 -1.556 0.00 0.00 +0.008 A ENDBRANCH 2 25 BRANCH 3 31 ATOM 31 C LIG 1 -4.814 0.704 0.736 0.00 0.00 -0.001 A ATOM 32 C LIG 1 -5.559 0.938 1.899 0.00 0.00 +0.010 A ATOM 33 C LIG 1 -6.955 0.893 1.869 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -7.617 0.615 0.675 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.886 0.381 -0.488 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -5.490 0.426 -0.458 0.00 0.00 +0.010 A ENDBRANCH 3 31 TORSDOF 7