REMARK Name = BDB054801 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.680 -0.756 -2.330 0.00 0.00 +0.069 A ATOM 2 C LIG 1 -1.420 -1.269 -3.401 0.00 0.00 +0.144 A ATOM 3 F LIG 1 -0.897 -1.242 -4.638 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -2.688 -1.811 -3.221 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -3.242 -1.846 -1.943 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.526 -1.340 -0.849 0.00 0.00 -0.040 A ATOM 7 C LIG 1 -1.245 -0.789 -1.054 0.00 0.00 +0.030 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 1.532 0.278 -1.744 0.00 0.00 +0.217 C ATOM 9 N LIG 1 0.596 -0.229 -2.627 0.00 0.00 -0.283 N ATOM 10 H LIG 1 0.840 -0.246 -3.613 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 1.426 0.327 -0.525 0.00 0.00 -0.275 OA BRANCH 8 12 ATOM 12 C LIG 1 2.774 0.768 -2.476 0.00 0.00 +0.096 C BRANCH 12 13 ATOM 13 C LIG 1 3.831 1.393 -1.566 0.00 0.00 +0.018 C BRANCH 13 14 ATOM 14 C LIG 1 4.548 0.366 -0.687 0.00 0.00 +0.096 C BRANCH 14 16 ATOM 15 O LIG 1 6.130 2.098 -0.145 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 5.690 0.983 0.108 0.00 0.00 +0.217 C ATOM 17 N LIG 1 6.156 0.112 1.081 0.00 0.00 -0.285 N ATOM 18 H LIG 1 5.662 -0.767 1.173 0.00 0.00 +0.155 HD BRANCH 17 19 ATOM 19 C LIG 1 7.216 0.319 1.988 0.00 0.00 +0.033 A ATOM 20 C LIG 1 7.484 -0.710 2.902 0.00 0.00 +0.023 A ATOM 21 C LIG 1 8.519 -0.586 3.833 0.00 0.00 +0.002 A ATOM 22 C LIG 1 9.297 0.568 3.859 0.00 0.00 +0.000 A ATOM 23 C LIG 1 9.038 1.595 2.954 0.00 0.00 +0.002 A ATOM 24 C LIG 1 8.002 1.471 2.022 0.00 0.00 +0.023 A ENDBRANCH 17 19 ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 8 12 ENDBRANCH 1 9 BRANCH 6 25 ATOM 25 C LIG 1 -3.132 -1.349 0.537 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -4.074 -0.172 0.761 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -5.550 -0.343 0.509 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -6.111 -1.580 0.198 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -5.621 -2.371 0.605 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -7.562 -1.749 0.204 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -8.221 -0.517 -0.409 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -7.772 0.760 0.311 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -6.294 0.772 0.589 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -5.683 2.060 0.989 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -6.347 3.087 1.079 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -4.345 2.025 1.276 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -3.902 2.899 1.540 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -3.527 0.948 1.139 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 8