REMARK Name = BDB036097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.134 0.591 1.837 0.00 0.00 +0.280 A ATOM 2 C LIG 1 -3.155 -0.345 2.184 0.00 0.00 +0.187 A ATOM 3 N LIG 1 -3.399 -1.257 3.151 0.00 0.00 -0.214 NA ATOM 4 C LIG 1 -4.606 -1.173 3.732 0.00 0.00 +0.247 A ATOM 5 N LIG 1 -5.548 -0.243 3.475 0.00 0.00 -0.134 NA ATOM 6 N LIG 1 -5.301 0.671 2.513 0.00 0.00 -0.106 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.880 -0.333 1.560 0.00 0.00 -0.310 N ATOM 8 C LIG 1 -0.904 -1.380 1.758 0.00 0.00 +0.115 C ATOM 9 C LIG 1 0.185 -0.323 1.447 0.00 0.00 +0.004 C ATOM 10 C LIG 1 0.581 -0.252 -0.038 0.00 0.00 +0.025 C ATOM 11 C LIG 1 1.925 0.460 -0.172 0.00 0.00 +0.085 C ATOM 12 N LIG 1 3.007 -0.313 0.459 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 2.586 -1.006 1.690 0.00 0.00 +0.085 C ATOM 14 C LIG 1 1.400 -0.335 2.382 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -0.906 0.682 1.887 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 4.209 0.515 0.640 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 5.511 -0.316 0.741 0.00 0.00 +0.003 C ATOM 18 C LIG 1 6.730 0.597 0.996 0.00 0.00 +0.005 C ATOM 19 C LIG 1 7.456 0.963 -0.296 0.00 0.00 +0.007 C ATOM 20 C LIG 1 8.022 -0.290 -1.022 0.00 0.00 -0.022 C ATOM 21 C LIG 1 9.496 -0.536 -0.633 0.00 0.00 +0.081 C ATOM 22 C LIG 1 10.242 0.357 -1.592 0.00 0.00 +0.134 C ATOM 23 O LIG 1 11.424 0.647 -1.472 0.00 0.00 -0.297 OA ATOM 24 C LIG 1 9.367 0.853 -2.710 0.00 0.00 +0.075 C ATOM 25 C LIG 1 8.130 -0.022 -2.540 0.00 0.00 +0.015 C ATOM 26 C LIG 1 7.174 -1.545 -0.725 0.00 0.00 +0.007 C ATOM 27 C LIG 1 5.705 -1.198 -0.510 0.00 0.00 +0.005 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 28 ATOM 28 O LIG 1 -3.966 1.537 0.854 0.00 0.00 -0.434 OA BRANCH 28 30 ATOM 29 C LIG 1 -4.665 0.133 -1.078 0.00 0.00 +0.082 A ATOM 30 C LIG 1 -3.860 1.097 -0.449 0.00 0.00 +0.143 A ATOM 31 C LIG 1 -2.887 1.766 -1.207 0.00 0.00 +0.050 A ATOM 32 C LIG 1 -2.663 1.421 -2.541 0.00 0.00 +0.042 A ATOM 33 C LIG 1 -3.418 0.410 -3.123 0.00 0.00 +0.124 A ATOM 34 F LIG 1 -3.194 0.070 -4.398 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -4.412 -0.241 -2.406 0.00 0.00 +0.055 A BRANCH 29 37 ATOM 36 N LIG 1 -7.051 -0.193 -0.407 0.00 0.00 -0.292 N ATOM 37 C LIG 1 -5.719 -0.627 -0.395 0.00 0.00 +0.251 C ATOM 38 O LIG 1 -5.343 -1.682 0.118 0.00 0.00 -0.270 OA BRANCH 36 40 ATOM 39 C LIG 1 -7.349 1.366 -2.377 0.00 0.00 +0.028 C ATOM 40 C LIG 1 -7.590 1.104 -0.891 0.00 0.00 +0.070 C ATOM 41 C LIG 1 -7.181 2.295 -0.029 0.00 0.00 +0.028 C ENDBRANCH 36 40 BRANCH 36 42 ATOM 42 C LIG 1 -7.991 -0.997 0.364 0.00 0.00 +0.077 C ATOM 43 C LIG 1 -9.331 -1.422 -0.185 0.00 0.00 +0.024 C ATOM 44 C LIG 1 -8.254 -2.442 0.012 0.00 0.00 +0.024 C ENDBRANCH 36 42 ENDBRANCH 29 37 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 8