REMARK Name = BDB026230 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.314 -0.842 -0.291 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.516 0.306 -0.270 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.910 0.180 -0.340 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.523 -1.081 -0.443 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.684 -2.204 -0.467 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.210 -3.435 -0.568 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.296 -2.095 -0.391 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.872 -1.955 -1.905 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.044 -1.271 -0.812 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.406 -1.833 0.518 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.623 -1.205 1.041 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.300 -1.738 1.508 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -2.701 -3.137 1.697 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.208 -0.675 1.209 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.711 -0.681 -0.188 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.537 -1.432 -1.151 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.991 -1.205 -0.523 0.00 0.00 -0.010 A ATOM 18 C LIG 1 4.694 -2.109 0.285 0.00 0.00 +0.048 A ATOM 19 C LIG 1 6.085 -2.220 0.203 0.00 0.00 +0.139 A ATOM 20 F LIG 1 6.682 -3.110 1.013 0.00 0.00 -0.205 F ATOM 21 C LIG 1 6.828 -1.440 -0.683 0.00 0.00 +0.107 A ATOM 22 C LIG 1 6.132 -0.538 -1.488 0.00 0.00 +0.139 A ATOM 23 F LIG 1 6.765 0.250 -2.368 0.00 0.00 -0.205 F ATOM 24 C LIG 1 4.740 -0.418 -1.411 0.00 0.00 +0.048 A BRANCH 21 25 ATOM 25 C LIG 1 8.306 -1.544 -0.792 0.00 0.00 +0.247 C ATOM 26 O LIG 1 8.958 -0.879 -1.587 0.00 0.00 -0.270 OA ATOM 27 N LIG 1 8.954 -2.421 0.032 0.00 0.00 -0.325 N ATOM 28 H LIG 1 8.482 -3.012 0.705 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 9.959 -2.489 -0.054 0.00 0.00 +0.145 HD ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -0.148 1.550 -0.198 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.159 1.446 -0.148 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 0.394 2.809 -0.267 0.00 0.00 +0.250 C ATOM 33 O LIG 1 1.569 3.111 -0.430 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -0.643 3.878 -0.205 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -1.369 4.241 1.007 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -2.284 5.229 0.953 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -2.555 5.942 -0.322 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -3.398 6.828 -0.381 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -1.809 5.541 -1.401 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -1.977 6.039 -2.268 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -0.870 4.540 -1.351 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -1.057 3.533 2.289 0.00 0.00 +0.372 C ATOM 43 F LIG 1 0.278 3.458 2.519 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -1.519 2.254 2.255 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6