REMARK Name = BDB007231 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.028 1.521 -0.492 0.00 0.00 +0.254 C ATOM 2 O LIG 1 1.379 1.620 -0.967 0.00 0.00 -0.349 OA ATOM 3 C LIG 1 2.183 2.389 -0.066 0.00 0.00 +0.187 C ATOM 4 C LIG 1 2.180 1.752 1.325 0.00 0.00 +0.125 C ATOM 5 C LIG 1 0.725 1.556 1.762 0.00 0.00 +0.187 C ATOM 6 O LIG 1 -0.003 0.839 0.760 0.00 0.00 -0.349 OA ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 2.871 0.464 1.275 0.00 0.00 -0.305 N ATOM 8 H LIG 1 2.615 -0.140 0.501 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 3.388 -0.114 2.401 0.00 0.00 +0.237 C ATOM 10 O LIG 1 3.416 0.415 3.505 0.00 0.00 -0.271 OA BRANCH 9 11 ATOM 11 C LIG 1 3.834 -1.513 2.218 0.00 0.00 +0.066 C ATOM 12 C LIG 1 4.653 -1.956 1.248 0.00 0.00 +0.022 C BRANCH 12 13 ATOM 13 C LIG 1 5.336 -1.150 0.173 0.00 0.00 +0.198 C ATOM 14 C LIG 1 4.773 -1.522 -1.197 0.00 0.00 +0.057 C BRANCH 13 15 ATOM 15 O LIG 1 6.728 -1.509 0.234 0.00 0.00 -0.443 OA BRANCH 15 16 ATOM 16 C LIG 1 7.589 -0.610 -0.300 0.00 0.00 +0.401 C ATOM 17 N LIG 1 8.857 -1.080 -0.142 0.00 0.00 -0.276 N ATOM 18 H LIG 1 8.915 -1.935 0.393 0.00 0.00 +0.153 HD ATOM 19 O LIG 1 7.271 0.443 -0.829 0.00 0.00 -0.226 OA BRANCH 17 20 ATOM 20 C LIG 1 10.086 -0.374 -0.512 0.00 0.00 +0.029 C ATOM 21 C LIG 1 11.280 -1.285 -0.175 0.00 0.00 +0.031 C ATOM 22 C LIG 1 10.118 -0.073 -2.019 0.00 0.00 +0.031 C ATOM 23 C LIG 1 10.225 0.930 0.288 0.00 0.00 +0.031 C ENDBRANCH 17 20 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 9 11 ENDBRANCH 4 7 BRANCH 1 24 ATOM 24 C LIG 1 -0.759 0.712 -1.531 0.00 0.00 +0.088 C BRANCH 24 27 ATOM 25 C LIG 1 -3.083 1.760 0.590 0.00 0.00 +0.043 C ATOM 26 C LIG 1 -3.224 0.814 -0.571 0.00 0.00 -0.054 C ATOM 27 C LIG 1 -2.242 0.434 -1.417 0.00 0.00 -0.019 C BRANCH 26 28 ATOM 28 C LIG 1 -4.563 0.255 -0.798 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -5.653 0.431 -0.031 0.00 0.00 +0.004 C BRANCH 29 30 ATOM 30 C LIG 1 -6.993 -0.184 -0.323 0.00 0.00 +0.145 C ATOM 31 O LIG 1 -7.390 -0.875 0.866 0.00 0.00 -0.366 OA ATOM 32 C LIG 1 -8.742 -1.372 0.885 0.00 0.00 +0.067 C ATOM 33 C LIG 1 -8.648 -2.872 1.187 0.00 0.00 +0.041 C ATOM 34 C LIG 1 -9.457 -0.672 2.049 0.00 0.00 +0.041 C ATOM 35 C LIG 1 -9.508 -1.161 -0.440 0.00 0.00 +0.072 C ATOM 36 C LIG 1 -9.361 0.255 -0.921 0.00 0.00 +0.098 C ATOM 37 O LIG 1 -9.892 0.468 -2.239 0.00 0.00 -0.368 OA ATOM 38 C LIG 1 -10.579 1.120 -1.166 0.00 0.00 +0.195 C ATOM 39 C LIG 1 -8.021 0.894 -0.690 0.00 0.00 +0.073 C ENDBRANCH 29 30 ENDBRANCH 26 28 ENDBRANCH 24 27 ENDBRANCH 1 24 TORSDOF 10