REMARK Name = BDB049771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.197 -0.226 -0.801 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.254 0.143 -2.070 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.473 0.806 -2.234 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -2.271 1.110 -1.125 0.00 0.00 -0.041 A ATOM 5 C LIG 1 -1.803 0.752 0.149 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.582 0.085 0.310 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.407 -0.859 -0.796 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 1.938 -1.339 0.444 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 2.705 -0.250 1.194 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 3.446 1.822 -1.362 0.00 0.00 +0.088 C ATOM 11 C LIG 1 4.262 0.947 -0.504 0.00 0.00 +0.126 A ATOM 12 C LIG 1 3.999 0.086 0.541 0.00 0.00 +0.086 A ATOM 13 N LIG 1 5.175 -0.491 0.967 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 6.098 0.026 0.176 0.00 0.00 +0.228 A ATOM 15 O LIG 1 5.606 0.913 -0.747 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 7.538 -0.217 0.156 0.00 0.00 +0.037 A ATOM 17 C LIG 1 8.103 -1.111 1.079 0.00 0.00 +0.013 A ATOM 18 C LIG 1 9.477 -1.364 1.084 0.00 0.00 +0.001 A ATOM 19 C LIG 1 10.306 -0.724 0.165 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.762 0.167 -0.758 0.00 0.00 +0.001 A ATOM 21 C LIG 1 8.387 0.419 -0.763 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -3.586 1.837 -1.299 0.00 0.00 +0.095 C BRANCH 22 23 ATOM 23 C LIG 1 -4.663 0.882 -0.912 0.00 0.00 +0.102 A ATOM 24 C LIG 1 -5.287 -0.159 -1.652 0.00 0.00 +0.193 A ATOM 25 N LIG 1 -6.196 -0.759 -0.861 0.00 0.00 -0.140 NA ATOM 26 N LIG 1 -6.103 -0.071 0.299 0.00 0.00 -0.149 N ATOM 27 N LIG 1 -5.209 0.949 0.314 0.00 0.00 -0.151 NA BRANCH 26 28 ATOM 28 C LIG 1 -6.900 -0.390 1.430 0.00 0.00 +0.086 A ATOM 29 C LIG 1 -6.777 0.358 2.611 0.00 0.00 +0.029 A ATOM 30 C LIG 1 -7.562 0.040 3.721 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -8.468 -1.019 3.658 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -8.592 -1.765 2.486 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -7.811 -1.454 1.371 0.00 0.00 +0.029 A ENDBRANCH 26 28 BRANCH 24 34 ATOM 34 C LIG 1 -5.073 -0.593 -3.028 0.00 0.00 +0.359 C ATOM 35 O LIG 1 -5.547 -1.591 -3.556 0.00 0.00 -0.243 OA BRANCH 34 36 ATOM 36 O LIG 1 -4.295 0.224 -3.779 0.00 0.00 -0.476 OA ATOM 37 H LIG 1 -4.294 -0.239 -4.644 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 10