REMARK Name = BDB014198 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.959 0.709 -1.458 0.00 0.00 +0.049 A ATOM 2 C LIG 1 -1.374 0.391 -2.757 0.00 0.00 +0.067 A ATOM 3 C LIG 1 -2.458 -0.488 -2.906 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -3.108 -1.022 -1.788 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.708 -0.674 -0.490 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -1.614 0.186 -0.334 0.00 0.00 +0.017 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 -0.071 2.838 -1.410 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.156 1.647 -1.234 0.00 0.00 +0.247 C ATOM 9 N LIG 1 1.373 1.132 -0.824 0.00 0.00 -0.295 N ATOM 10 C LIG 1 2.459 2.072 -0.528 0.00 0.00 +0.127 C ATOM 11 C LIG 1 3.558 1.448 0.347 0.00 0.00 +0.125 C ATOM 12 N LIG 1 4.119 0.248 -0.299 0.00 0.00 -0.312 N ATOM 13 C LIG 1 3.187 -0.591 -1.073 0.00 0.00 +0.125 C ATOM 14 C LIG 1 1.710 -0.296 -0.740 0.00 0.00 +0.127 C BRANCH 12 15 ATOM 15 C LIG 1 5.184 -0.359 0.361 0.00 0.00 +0.124 A ATOM 16 N LIG 1 5.509 0.077 1.605 0.00 0.00 -0.213 NA ATOM 17 C LIG 1 6.550 -0.534 2.173 0.00 0.00 +0.160 A ATOM 18 C LIG 1 7.308 -1.545 1.602 0.00 0.00 +0.086 A ATOM 19 N LIG 1 8.299 -1.919 2.499 0.00 0.00 -0.305 N ATOM 20 H LIG 1 9.012 -2.620 2.378 0.00 0.00 +0.170 HD ATOM 21 C LIG 1 8.162 -1.131 3.651 0.00 0.00 +0.326 A ATOM 22 O LIG 1 8.860 -1.182 4.647 0.00 0.00 -0.247 OA ATOM 23 C LIG 1 7.018 -1.996 0.347 0.00 0.00 +0.033 A ATOM 24 N LIG 1 7.074 -0.281 3.432 0.00 0.00 -0.291 N ATOM 25 H LIG 1 6.728 0.408 4.074 0.00 0.00 +0.172 HD ATOM 26 C LIG 1 5.931 -1.379 -0.282 0.00 0.00 +0.046 A ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 2 27 ATOM 27 C LIG 1 -0.674 0.966 -3.960 0.00 0.00 +0.418 C ATOM 28 F LIG 1 -1.033 0.341 -5.121 0.00 0.00 -0.166 F ATOM 29 F LIG 1 0.681 0.834 -3.897 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.933 2.283 -4.163 0.00 0.00 -0.166 F ENDBRANCH 2 27 BRANCH 5 31 ATOM 31 C LIG 1 -3.409 -1.241 0.724 0.00 0.00 +0.093 C BRANCH 31 32 ATOM 32 C LIG 1 -4.928 -1.179 0.641 0.00 0.00 +0.074 A ATOM 33 C LIG 1 -5.636 0.110 0.856 0.00 0.00 +0.011 A ATOM 34 C LIG 1 -7.026 0.096 0.754 0.00 0.00 +0.050 A ATOM 35 C LIG 1 -7.768 1.269 0.940 0.00 0.00 +0.014 A ATOM 36 C LIG 1 -7.112 2.465 1.228 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -5.722 2.486 1.331 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.711 -1.169 0.448 0.00 0.00 +0.272 A ATOM 39 O LIG 1 -8.932 -1.230 0.351 0.00 0.00 -0.266 OA ATOM 40 N LIG 1 -6.905 -2.268 0.279 0.00 0.00 -0.242 N ATOM 41 H LIG 1 -7.363 -3.150 0.071 0.00 0.00 +0.192 HD ATOM 42 C LIG 1 -4.982 1.313 1.148 0.00 0.00 +0.010 A ATOM 43 N LIG 1 -5.549 -2.290 0.368 0.00 0.00 -0.175 NA ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 5