REMARK Name = BDB015072 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.007 1.184 0.666 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.805 0.172 0.117 0.00 0.00 +0.054 A ATOM 3 C LIG 1 1.919 0.464 -0.689 0.00 0.00 -0.014 A ATOM 4 C LIG 1 2.209 1.812 -0.939 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.412 2.827 -0.404 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.311 2.513 0.394 0.00 0.00 +0.045 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 2.750 -0.615 -1.251 0.00 0.00 -0.016 A ATOM 8 C LIG 1 4.150 -0.606 -1.074 0.00 0.00 +0.036 A ATOM 9 C LIG 1 4.916 -1.663 -1.608 0.00 0.00 +0.074 A ATOM 10 C LIG 1 4.322 -2.670 -2.371 0.00 0.00 +0.089 A ATOM 11 N LIG 1 5.255 -3.525 -2.885 0.00 0.00 -0.235 NA ATOM 12 C LIG 1 6.405 -3.070 -2.446 0.00 0.00 +0.205 A ATOM 13 C LIG 1 2.932 -2.686 -2.542 0.00 0.00 +0.030 A ATOM 14 N LIG 1 6.273 -1.976 -1.615 0.00 0.00 -0.299 N ATOM 15 C LIG 1 2.162 -1.665 -1.973 0.00 0.00 +0.011 A BRANCH 14 16 ATOM 16 C LIG 1 7.342 -1.347 -0.913 0.00 0.00 +0.048 A ATOM 17 C LIG 1 8.655 -1.441 -1.400 0.00 0.00 +0.026 A ATOM 18 C LIG 1 9.710 -0.841 -0.706 0.00 0.00 +0.002 A ATOM 19 C LIG 1 9.467 -0.160 0.484 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.171 -0.077 0.984 0.00 0.00 +0.002 A ATOM 21 C LIG 1 7.111 -0.669 0.293 0.00 0.00 +0.026 A ENDBRANCH 14 16 ENDBRANCH 3 7 BRANCH 1 22 ATOM 22 O LIG 1 -1.041 0.730 1.413 0.00 0.00 -0.489 OA BRANCH 22 23 ATOM 23 C LIG 1 -1.716 1.637 2.288 0.00 0.00 +0.261 C BRANCH 23 24 ATOM 24 C LIG 1 -3.023 2.192 1.697 0.00 0.00 +0.166 C BRANCH 24 25 ATOM 25 O LIG 1 -2.778 3.425 1.000 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 -3.558 3.537 0.416 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -3.723 1.213 0.733 0.00 0.00 +0.119 C BRANCH 27 28 ATOM 28 N LIG 1 -4.991 1.789 0.215 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -6.098 1.665 1.187 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -6.658 0.267 1.349 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -6.520 -0.686 0.323 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -7.071 -1.964 0.484 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -7.769 -2.289 1.647 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.918 -1.345 2.659 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.719 -0.362 -0.912 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -7.369 -0.070 2.509 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.407 1.137 -1.044 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 8