REMARK Name = BDB007238 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.348 -0.113 0.034 0.00 0.00 +0.254 C ATOM 2 O LIG 1 0.978 0.122 -0.437 0.00 0.00 -0.349 OA ATOM 3 C LIG 1 1.849 0.456 0.648 0.00 0.00 +0.187 C ATOM 4 C LIG 1 1.639 -0.474 1.857 0.00 0.00 +0.125 C ATOM 5 C LIG 1 0.814 -1.680 1.407 0.00 0.00 +0.187 C ATOM 6 O LIG 1 -0.430 -1.309 0.818 0.00 0.00 -0.349 OA ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 2.892 -0.864 2.491 0.00 0.00 -0.305 N ATOM 8 H LIG 1 3.222 -1.815 2.394 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 3.639 0.042 3.196 0.00 0.00 +0.237 C ATOM 10 O LIG 1 3.311 1.201 3.404 0.00 0.00 -0.271 OA BRANCH 9 11 ATOM 11 C LIG 1 4.879 -0.513 3.781 0.00 0.00 +0.066 C ATOM 12 C LIG 1 5.856 -1.136 3.103 0.00 0.00 +0.022 C BRANCH 12 13 ATOM 13 C LIG 1 5.947 -1.379 1.619 0.00 0.00 +0.198 C ATOM 14 C LIG 1 5.909 -2.879 1.335 0.00 0.00 +0.057 C BRANCH 13 15 ATOM 15 O LIG 1 7.214 -0.841 1.207 0.00 0.00 -0.443 OA BRANCH 15 16 ATOM 16 C LIG 1 7.336 -0.541 -0.116 0.00 0.00 +0.404 C ATOM 17 N LIG 1 8.582 0.003 -0.437 0.00 0.00 -0.265 N ATOM 18 C LIG 1 9.540 0.323 0.619 0.00 0.00 +0.136 C ATOM 19 O LIG 1 6.434 -0.744 -0.920 0.00 0.00 -0.226 OA BRANCH 17 20 ATOM 20 C LIG 1 8.881 0.424 -1.845 0.00 0.00 +0.032 C ATOM 21 C LIG 1 7.934 1.564 -2.274 0.00 0.00 +0.031 C ATOM 22 C LIG 1 10.328 0.950 -2.024 0.00 0.00 +0.031 C ATOM 23 C LIG 1 8.737 -0.770 -2.814 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 -1.277 -0.250 -1.182 0.00 0.00 +0.088 C BRANCH 24 27 ATOM 25 C LIG 1 -3.359 2.042 -1.591 0.00 0.00 +0.043 C ATOM 26 C LIG 1 -3.663 0.695 -0.985 0.00 0.00 -0.054 C ATOM 27 C LIG 1 -2.738 -0.270 -0.803 0.00 0.00 -0.019 C BRANCH 26 28 ATOM 28 C LIG 1 -5.038 0.428 -0.561 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -6.088 1.259 -0.685 0.00 0.00 +0.004 C BRANCH 29 30 ATOM 30 C LIG 1 -7.516 1.010 -0.265 0.00 0.00 +0.145 C ATOM 31 O LIG 1 -8.311 1.270 -1.432 0.00 0.00 -0.366 OA ATOM 32 C LIG 1 -9.722 1.013 -1.313 0.00 0.00 +0.067 C ATOM 33 C LIG 1 -10.434 2.311 -1.712 0.00 0.00 +0.041 C ATOM 34 C LIG 1 -10.064 -0.078 -2.336 0.00 0.00 +0.041 C ATOM 35 C LIG 1 -10.168 0.599 0.106 0.00 0.00 +0.072 C ATOM 36 C LIG 1 -9.284 -0.489 0.641 0.00 0.00 +0.098 C ATOM 37 O LIG 1 -9.538 -0.807 2.019 0.00 0.00 -0.368 OA ATOM 38 C LIG 1 -9.866 -1.821 1.064 0.00 0.00 +0.195 C ATOM 39 C LIG 1 -7.824 -0.388 0.292 0.00 0.00 +0.073 C ENDBRANCH 29 30 ENDBRANCH 26 28 ENDBRANCH 24 27 ENDBRANCH 1 24 TORSDOF 10