REMARK Name = BDB063571 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.932 1.854 0.087 0.00 0.00 +0.048 A ATOM 2 C LIG 1 1.756 1.808 -0.672 0.00 0.00 +0.136 A ATOM 3 N LIG 1 0.622 2.539 -0.474 0.00 0.00 -0.238 NA ATOM 4 C LIG 1 0.607 3.416 0.544 0.00 0.00 +0.123 A ATOM 5 C LIG 1 1.713 3.548 1.373 0.00 0.00 +0.045 A ATOM 6 C LIG 1 2.861 2.773 1.141 0.00 0.00 +0.028 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.392 1.027 -2.656 0.00 0.00 +0.029 C ATOM 8 C LIG 1 4.121 0.204 -1.388 0.00 0.00 +0.088 C ATOM 9 N LIG 1 4.076 1.113 -0.202 0.00 0.00 -0.323 N ATOM 10 C LIG 1 5.117 0.879 0.823 0.00 0.00 +0.124 C ATOM 11 C LIG 1 6.501 0.671 0.176 0.00 0.00 +0.127 C ATOM 12 N LIG 1 6.511 -0.334 -0.892 0.00 0.00 -0.294 N ATOM 13 C LIG 1 7.616 -0.642 -1.668 0.00 0.00 +0.247 C ATOM 14 O LIG 1 7.621 -1.441 -2.600 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 5.207 -0.898 -1.239 0.00 0.00 +0.130 C BRANCH 13 16 ATOM 16 C LIG 1 8.854 0.104 -1.430 0.00 0.00 +0.050 A ATOM 17 C LIG 1 9.856 -0.378 -0.618 0.00 0.00 +0.062 A ATOM 18 C LIG 1 9.966 -1.586 0.199 0.00 0.00 +0.255 C ATOM 19 N LIG 1 11.221 -1.574 0.750 0.00 0.00 -0.222 N ATOM 20 C LIG 1 11.889 -0.419 0.449 0.00 0.00 +0.255 C ATOM 21 O LIG 1 12.982 -0.039 0.824 0.00 0.00 -0.270 OA ATOM 22 O LIG 1 9.077 -2.396 0.377 0.00 0.00 -0.269 OA ATOM 23 C LIG 1 11.028 0.339 -0.455 0.00 0.00 +0.050 A ATOM 24 C LIG 1 11.259 1.552 -1.081 0.00 0.00 +0.014 A ATOM 25 C LIG 1 10.254 2.046 -1.916 0.00 0.00 +0.002 A ATOM 26 C LIG 1 9.061 1.322 -2.101 0.00 0.00 +0.014 A BRANCH 19 27 ATOM 27 C LIG 1 11.716 -2.537 1.720 0.00 0.00 +0.171 C ATOM 28 C LIG 1 11.007 -2.338 3.062 0.00 0.00 +0.240 C ATOM 29 O LIG 1 10.460 -1.292 3.408 0.00 0.00 -0.273 OA ATOM 30 N LIG 1 11.074 -3.407 3.930 0.00 0.00 -0.255 N ATOM 31 H LIG 1 10.653 -3.265 4.838 0.00 0.00 +0.158 HD ATOM 32 C LIG 1 11.603 -4.653 3.699 0.00 0.00 +0.219 C ATOM 33 O LIG 1 11.634 -5.502 4.586 0.00 0.00 -0.275 OA ATOM 34 C LIG 1 12.210 -4.892 2.333 0.00 0.00 +0.098 C ATOM 35 C LIG 1 11.584 -3.990 1.278 0.00 0.00 +0.041 C ENDBRANCH 19 27 ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 4 36 ATOM 36 N LIG 1 -0.529 4.209 0.818 0.00 0.00 -0.295 N ATOM 37 H LIG 1 -0.248 5.186 0.935 0.00 0.00 +0.154 HD BRANCH 36 38 ATOM 38 C LIG 1 -1.701 4.163 0.070 0.00 0.00 +0.098 A ATOM 39 C LIG 1 -2.276 5.515 -0.313 0.00 0.00 +0.272 A ATOM 40 O LIG 1 -1.690 6.532 0.065 0.00 0.00 -0.266 OA ATOM 41 N LIG 1 -3.437 5.510 -1.082 0.00 0.00 -0.316 N ATOM 42 C LIG 1 -4.029 6.773 -1.491 0.00 0.00 +0.152 C ATOM 43 C LIG 1 -4.058 4.335 -1.470 0.00 0.00 +0.097 A ATOM 44 C LIG 1 -3.587 3.130 -1.106 0.00 0.00 +0.001 A ATOM 45 C LIG 1 -2.376 3.066 -0.315 0.00 0.00 +0.038 A BRANCH 44 46 ATOM 46 C LIG 1 -4.301 1.919 -1.564 0.00 0.00 -0.006 A ATOM 47 C LIG 1 -5.449 1.390 -0.922 0.00 0.00 +0.026 A ATOM 48 C LIG 1 -5.987 0.206 -1.460 0.00 0.00 +0.134 A ATOM 49 N LIG 1 -5.509 -0.353 -2.607 0.00 0.00 -0.240 NA ATOM 50 C LIG 1 -4.420 0.181 -3.185 0.00 0.00 +0.113 A ATOM 51 C LIG 1 -3.779 1.294 -2.700 0.00 0.00 +0.029 A BRANCH 48 52 ATOM 52 N LIG 1 -7.101 -0.488 -0.918 0.00 0.00 -0.249 N ATOM 53 C LIG 1 -7.249 -0.737 0.450 0.00 0.00 +0.268 C ATOM 54 O LIG 1 -6.380 -0.526 1.292 0.00 0.00 -0.268 OA ATOM 55 C LIG 1 -8.521 -1.336 0.818 0.00 0.00 +0.105 A ATOM 56 C LIG 1 -9.114 -1.468 2.072 0.00 0.00 +0.036 A ATOM 57 C LIG 1 -10.344 -2.108 1.865 0.00 0.00 -0.025 A ATOM 58 C LIG 1 -11.519 -2.589 2.626 0.00 0.00 +0.043 C ATOM 59 C LIG 1 -12.252 -3.519 1.560 0.00 0.00 -0.026 C ATOM 60 C LIG 1 -11.901 -4.993 1.833 0.00 0.00 +0.011 C ATOM 61 C LIG 1 -13.770 -3.334 1.627 0.00 0.00 +0.011 C ATOM 62 C LIG 1 -11.691 -3.090 0.137 0.00 0.00 +0.060 C ATOM 63 C LIG 1 -10.460 -2.378 0.532 0.00 0.00 +0.023 A ATOM 64 N LIG 1 -9.368 -1.918 -0.107 0.00 0.00 -0.338 N ATOM 65 C LIG 1 -9.032 -1.966 -1.511 0.00 0.00 +0.141 C ATOM 66 C LIG 1 -8.208 -0.734 -1.858 0.00 0.00 +0.137 C ENDBRANCH 48 52 BRANCH 47 67 ATOM 67 C LIG 1 -6.057 2.125 0.247 0.00 0.00 +0.195 C BRANCH 67 68 ATOM 68 O LIG 1 -7.472 2.224 0.116 0.00 0.00 -0.390 OA ATOM 69 H LIG 1 -7.819 2.326 1.019 0.00 0.00 +0.210 HD ENDBRANCH 67 68 ENDBRANCH 47 67 ENDBRANCH 44 46 ENDBRANCH 36 38 ENDBRANCH 4 36 TORSDOF 9