REMARK Name = BDB064892 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.437 0.593 0.958 0.00 0.00 +0.222 C ATOM 2 N LIG 1 -1.543 0.960 1.696 0.00 0.00 -0.267 N ATOM 3 C LIG 1 -2.463 1.956 1.188 0.00 0.00 +0.201 C ATOM 4 N LIG 1 -3.367 2.216 2.272 0.00 0.00 -0.280 N ATOM 5 C LIG 1 -4.459 3.157 2.183 0.00 0.00 +0.134 C ATOM 6 C LIG 1 -3.100 1.422 3.367 0.00 0.00 +0.237 C ATOM 7 O LIG 1 -3.733 1.397 4.413 0.00 0.00 -0.274 OA ATOM 8 C LIG 1 -1.822 0.630 3.097 0.00 0.00 +0.161 C ATOM 9 C LIG 1 -0.751 1.120 4.065 0.00 0.00 +0.038 C ATOM 10 O LIG 1 -0.160 1.193 -0.086 0.00 0.00 -0.275 OA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -3.156 1.548 -0.106 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -4.061 0.470 -0.201 0.00 0.00 +0.169 A ATOM 13 C LIG 1 -4.692 0.158 -1.426 0.00 0.00 +0.164 A ATOM 14 C LIG 1 -4.362 0.872 -2.580 0.00 0.00 +0.082 A ATOM 15 C LIG 1 -3.444 1.923 -2.499 0.00 0.00 +0.130 A ATOM 16 C LIG 1 -2.853 2.268 -1.279 0.00 0.00 +0.043 A BRANCH 15 17 ATOM 17 N LIG 1 -3.108 2.683 -3.709 0.00 0.00 +0.057 N ATOM 18 O LIG 1 -3.467 2.215 -4.800 0.00 0.00 -0.126 OA ATOM 19 O LIG 1 -2.506 3.756 -3.566 0.00 0.00 -0.126 OA ENDBRANCH 15 17 BRANCH 13 20 ATOM 20 O LIG 1 -5.595 -0.873 -1.423 0.00 0.00 -0.491 OA ATOM 21 C LIG 1 -6.654 -0.789 -2.374 0.00 0.00 +0.277 C ENDBRANCH 13 20 BRANCH 12 22 ATOM 22 O LIG 1 -4.385 -0.184 0.962 0.00 0.00 -0.477 OA BRANCH 22 23 ATOM 23 C LIG 1 -4.176 -1.593 0.920 0.00 0.00 +0.349 C BRANCH 23 24 ATOM 24 C LIG 1 -5.452 -2.378 1.162 0.00 0.00 +0.343 C ATOM 25 O LIG 1 -6.571 -1.955 1.402 0.00 0.00 -0.247 OA BRANCH 24 26 ATOM 26 O LIG 1 -5.240 -3.716 1.112 0.00 0.00 -0.478 OA ATOM 27 H LIG 1 -6.133 -4.086 1.286 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 12 22 ENDBRANCH 3 11 BRANCH 1 28 ATOM 28 C LIG 1 0.447 -0.529 1.495 0.00 0.00 +0.138 C BRANCH 28 34 ATOM 29 C LIG 1 6.041 1.612 -0.343 0.00 0.00 +0.127 A ATOM 30 C LIG 1 4.774 1.256 0.148 0.00 0.00 +0.047 A ATOM 31 C LIG 1 4.129 0.095 -0.348 0.00 0.00 +0.140 A ATOM 32 O LIG 1 2.895 -0.177 0.191 0.00 0.00 -0.455 OA ATOM 33 C LIG 1 2.180 -1.270 -0.226 0.00 0.00 +0.140 A ATOM 34 C LIG 1 0.935 -1.481 0.417 0.00 0.00 +0.045 A ATOM 35 C LIG 1 0.146 -2.586 0.049 0.00 0.00 +0.127 A ATOM 36 C LIG 1 0.584 -3.436 -0.964 0.00 0.00 +0.046 A ATOM 37 C LIG 1 1.815 -3.219 -1.583 0.00 0.00 +0.012 A ATOM 38 C LIG 1 2.640 -2.141 -1.218 0.00 0.00 +0.005 A ATOM 39 C LIG 1 3.999 -1.925 -1.883 0.00 0.00 +0.022 C ATOM 40 C LIG 1 3.786 -1.727 -3.403 0.00 0.00 +0.021 C ATOM 41 C LIG 1 4.876 -3.177 -1.639 0.00 0.00 +0.021 C ATOM 42 C LIG 1 4.723 -0.702 -1.327 0.00 0.00 +0.005 A ATOM 43 C LIG 1 5.997 -0.330 -1.791 0.00 0.00 +0.012 A ATOM 44 C LIG 1 6.650 0.806 -1.302 0.00 0.00 +0.046 A BRANCH 29 46 ATOM 45 C LIG 1 7.728 3.289 -0.496 0.00 0.00 +0.277 C ATOM 46 O LIG 1 6.602 2.744 0.183 0.00 0.00 -0.495 OA ENDBRANCH 29 46 BRANCH 35 47 ATOM 47 O LIG 1 -1.039 -2.750 0.721 0.00 0.00 -0.495 OA ATOM 48 C LIG 1 -1.569 -4.073 0.735 0.00 0.00 +0.277 C ENDBRANCH 35 47 BRANCH 30 49 ATOM 49 C LIG 1 4.053 2.136 1.149 0.00 0.00 +0.163 C BRANCH 49 50 ATOM 50 C LIG 1 2.878 2.839 0.515 0.00 0.00 +0.309 C ATOM 51 O LIG 1 2.864 3.447 -0.543 0.00 0.00 -0.251 OA BRANCH 50 52 ATOM 52 O LIG 1 1.748 2.711 1.241 0.00 0.00 -0.480 OA ATOM 53 H LIG 1 1.053 2.932 0.580 0.00 0.00 +0.295 HD ENDBRANCH 50 52 ENDBRANCH 49 50 ENDBRANCH 30 49 ENDBRANCH 28 34 ENDBRANCH 1 28 TORSDOF 14