REMARK Name = BDB034120 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.797 -1.216 -0.323 0.00 0.00 -0.002 A ATOM 2 C LIG 1 -2.788 -2.584 -0.694 0.00 0.00 +0.124 A ATOM 3 C LIG 1 -1.780 -3.438 -0.224 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -0.771 -2.951 0.606 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.770 -1.604 0.963 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -1.779 -0.742 0.522 0.00 0.00 +0.020 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -6.223 3.139 0.641 0.00 0.00 +0.221 C ATOM 8 N LIG 1 -5.546 1.978 0.279 0.00 0.00 -0.301 N ATOM 9 C LIG 1 -6.137 0.683 -0.059 0.00 0.00 +0.108 C ATOM 10 C LIG 1 -5.153 -0.469 0.114 0.00 0.00 +0.027 C ATOM 11 C LIG 1 -3.926 -0.301 -0.800 0.00 0.00 +0.026 C ATOM 12 C LIG 1 -3.555 1.185 -0.984 0.00 0.00 +0.027 C ATOM 13 C LIG 1 -4.086 2.065 0.146 0.00 0.00 +0.108 C ATOM 14 O LIG 1 -5.576 4.169 0.872 0.00 0.00 -0.275 OA BRANCH 7 16 ATOM 15 C LIG 1 -8.524 2.655 -0.428 0.00 0.00 +0.020 C ATOM 16 C LIG 1 -7.771 3.176 0.805 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -8.202 2.446 2.087 0.00 0.00 +0.020 C ATOM 18 C LIG 1 -8.190 4.662 0.976 0.00 0.00 +0.020 C ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 5 19 ATOM 19 C LIG 1 0.288 -1.099 1.853 0.00 0.00 +0.247 C ATOM 20 N LIG 1 1.356 -0.407 1.286 0.00 0.00 -0.297 N ATOM 21 C LIG 1 1.551 -0.181 -0.149 0.00 0.00 +0.111 C ATOM 22 C LIG 1 3.013 -0.366 -0.543 0.00 0.00 +0.063 C ATOM 23 C LIG 1 3.962 0.514 0.286 0.00 0.00 +0.176 C ATOM 24 C LIG 1 3.287 1.122 1.518 0.00 0.00 +0.063 C ATOM 25 C LIG 1 2.377 0.111 2.193 0.00 0.00 +0.111 C ATOM 26 O LIG 1 0.173 -1.317 3.057 0.00 0.00 -0.270 OA BRANCH 23 27 ATOM 27 O LIG 1 4.412 1.607 -0.535 0.00 0.00 -0.489 OA BRANCH 27 28 ATOM 28 C LIG 1 5.698 1.472 -0.987 0.00 0.00 +0.125 A ATOM 29 C LIG 1 6.792 1.380 -0.114 0.00 0.00 +0.069 A ATOM 30 C LIG 1 8.109 1.267 -0.596 0.00 0.00 +0.036 A ATOM 31 C LIG 1 8.277 1.306 -1.990 0.00 0.00 +0.061 A ATOM 32 C LIG 1 7.187 1.431 -2.849 0.00 0.00 +0.129 A ATOM 33 F LIG 1 7.396 1.477 -4.172 0.00 0.00 -0.205 F ATOM 34 C LIG 1 5.894 1.521 -2.359 0.00 0.00 +0.084 A BRANCH 30 35 ATOM 35 N LIG 1 9.233 1.175 0.240 0.00 0.00 -0.327 N ATOM 36 C LIG 1 9.058 1.426 1.688 0.00 0.00 +0.120 C ATOM 37 C LIG 1 10.428 1.532 2.396 0.00 0.00 +0.100 C ATOM 38 N LIG 1 11.292 0.356 2.181 0.00 0.00 -0.313 NA ATOM 39 H LIG 1 12.208 0.541 2.589 0.00 0.00 +0.122 HD ATOM 40 C LIG 1 11.450 0.142 0.731 0.00 0.00 +0.100 C ATOM 41 C LIG 1 10.108 0.005 -0.025 0.00 0.00 +0.120 C ENDBRANCH 30 35 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 5 19 BRANCH 2 42 ATOM 42 O LIG 1 -3.835 -2.995 -1.478 0.00 0.00 -0.487 OA BRANCH 42 43 ATOM 43 C LIG 1 -3.750 -4.255 -2.151 0.00 0.00 +0.188 C ATOM 44 C LIG 1 -4.700 -4.209 -3.362 0.00 0.00 +0.125 C ATOM 45 N LIG 1 -5.772 -5.196 -3.129 0.00 0.00 -0.312 NA ATOM 46 H LIG 1 -5.508 -6.076 -3.574 0.00 0.00 +0.122 HD ATOM 47 C LIG 1 -5.792 -5.393 -1.677 0.00 0.00 +0.084 C ATOM 48 C LIG 1 -4.329 -5.367 -1.284 0.00 0.00 +0.061 C ENDBRANCH 42 43 ENDBRANCH 2 42 TORSDOF 8