REMARK Name = BDB064776 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.236 1.122 -0.469 0.00 0.00 +0.125 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.166 2.266 -0.503 0.00 0.00 -0.296 NA ATOM 3 C LIG 1 -3.299 2.914 0.827 0.00 0.00 +0.103 C ATOM 4 C LIG 1 -4.327 4.063 0.807 0.00 0.00 +0.123 C ATOM 5 N LIG 1 -5.623 3.590 0.325 0.00 0.00 -0.295 N ATOM 6 C LIG 1 -6.591 3.261 1.269 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -6.390 3.314 2.482 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -5.535 2.968 -1.000 0.00 0.00 +0.123 C ATOM 9 C LIG 1 -4.497 1.823 -0.984 0.00 0.00 +0.103 C BRANCH 6 10 ATOM 10 C LIG 1 -7.926 2.805 0.829 0.00 0.00 +0.072 A ATOM 11 C LIG 1 -8.648 3.486 -0.149 0.00 0.00 +0.135 A ATOM 12 F LIG 1 -8.145 4.570 -0.756 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -9.918 3.051 -0.515 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -10.482 1.937 0.112 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -9.779 1.248 1.113 0.00 0.00 -0.041 A ATOM 16 C LIG 1 -8.503 1.703 1.478 0.00 0.00 +0.020 A BRANCH 15 17 ATOM 17 C LIG 1 -10.407 0.071 1.826 0.00 0.00 +0.093 C BRANCH 17 18 ATOM 18 C LIG 1 -10.870 -1.027 0.877 0.00 0.00 +0.074 A ATOM 19 C LIG 1 -9.891 -2.001 0.328 0.00 0.00 +0.011 A ATOM 20 C LIG 1 -10.381 -2.965 -0.551 0.00 0.00 +0.050 A ATOM 21 C LIG 1 -9.525 -3.919 -1.116 0.00 0.00 +0.014 A ATOM 22 C LIG 1 -8.169 -3.907 -0.797 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -7.671 -2.946 0.082 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -11.815 -2.975 -0.883 0.00 0.00 +0.272 A ATOM 25 O LIG 1 -12.290 -3.803 -1.652 0.00 0.00 -0.266 OA ATOM 26 N LIG 1 -12.581 -2.008 -0.281 0.00 0.00 -0.242 N ATOM 27 H LIG 1 -13.572 -2.000 -0.498 0.00 0.00 +0.192 HD ATOM 28 C LIG 1 -8.528 -1.994 0.646 0.00 0.00 +0.010 A ATOM 29 N LIG 1 -12.136 -1.050 0.574 0.00 0.00 -0.175 NA ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 6 10 ENDBRANCH 1 2 BRANCH 1 30 ATOM 30 C LIG 1 -0.765 1.511 -0.246 0.00 0.00 +0.244 C BRANCH 30 31 ATOM 31 O LIG 1 0.026 0.323 -0.359 0.00 0.00 -0.491 OA BRANCH 31 36 ATOM 32 C LIG 1 5.572 0.549 0.324 0.00 0.00 +0.131 A ATOM 33 C LIG 1 4.172 0.482 0.142 0.00 0.00 +0.042 A ATOM 34 C LIG 1 3.440 1.685 0.222 0.00 0.00 +0.078 A ATOM 35 C LIG 1 2.060 1.651 0.056 0.00 0.00 +0.074 A ATOM 36 C LIG 1 1.376 0.459 -0.187 0.00 0.00 +0.123 A ATOM 37 C LIG 1 2.095 -0.729 -0.271 0.00 0.00 +0.046 A ATOM 38 N LIG 1 4.026 2.871 0.456 0.00 0.00 -0.255 NA ATOM 39 C LIG 1 5.364 2.898 0.618 0.00 0.00 +0.115 A ATOM 40 C LIG 1 3.479 -0.722 -0.108 0.00 0.00 +0.017 A ATOM 41 C LIG 1 6.173 1.781 0.562 0.00 0.00 +0.066 A BRANCH 32 42 ATOM 42 O LIG 1 6.254 -0.640 0.239 0.00 0.00 -0.489 OA BRANCH 42 43 ATOM 43 C LIG 1 7.644 -0.637 0.574 0.00 0.00 +0.252 C BRANCH 43 44 ATOM 44 C LIG 1 8.152 -2.076 0.514 0.00 0.00 +0.188 C BRANCH 44 47 ATOM 45 C LIG 1 11.706 -2.209 0.010 0.00 0.00 +0.095 A ATOM 46 N LIG 1 10.437 -2.136 -0.244 0.00 0.00 -0.168 NA ATOM 47 N LIG 1 9.571 -2.173 0.829 0.00 0.00 -0.226 N ATOM 48 C LIG 1 9.980 -2.216 2.155 0.00 0.00 +0.267 A ATOM 49 O LIG 1 9.228 -2.174 3.125 0.00 0.00 -0.266 OA ATOM 50 C LIG 1 11.438 -2.316 2.379 0.00 0.00 +0.074 A ATOM 51 C LIG 1 12.294 -2.318 1.355 0.00 0.00 +0.035 A BRANCH 45 56 ATOM 52 C LIG 1 15.737 -2.229 -2.953 0.00 0.00 +0.172 C ATOM 53 N LIG 1 14.392 -2.185 -2.435 0.00 0.00 -0.274 N ATOM 54 N LIG 1 13.362 -2.069 -3.285 0.00 0.00 -0.179 NA ATOM 55 C LIG 1 12.293 -2.071 -2.485 0.00 0.00 +0.144 A ATOM 56 C LIG 1 12.627 -2.181 -1.110 0.00 0.00 +0.039 A ATOM 57 C LIG 1 14.009 -2.251 -1.125 0.00 0.00 +0.118 A ENDBRANCH 45 56 ENDBRANCH 44 47 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 32 42 ENDBRANCH 31 36 ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 12