REMARK Name = BDB004306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.508 1.186 -0.215 0.00 0.00 +0.004 C ATOM 2 C LIG 1 0.466 0.862 1.296 0.00 0.00 +0.011 C ATOM 3 C LIG 1 -1.061 0.573 1.188 0.00 0.00 -0.026 C ATOM 4 C LIG 1 -1.888 1.295 2.260 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -3.383 1.135 1.958 0.00 0.00 +0.105 C ATOM 6 N LIG 1 -3.714 -0.252 1.602 0.00 0.00 -0.330 N ATOM 7 C LIG 1 -2.688 -1.256 1.873 0.00 0.00 +0.105 C ATOM 8 C LIG 1 -1.419 -0.927 1.084 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -1.032 1.317 -0.184 0.00 0.00 +0.011 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.850 -0.513 0.850 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -4.966 -1.632 0.014 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -6.125 -1.891 -0.735 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -7.224 -1.028 -0.681 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -7.126 0.095 0.144 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -5.965 0.340 0.891 0.00 0.00 +0.023 A BRANCH 13 16 ATOM 16 C LIG 1 -8.483 -1.342 -1.482 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -9.579 -2.061 -0.649 0.00 0.00 +0.068 C ATOM 18 C LIG 1 -10.813 -2.247 -1.542 0.00 0.00 +0.238 C ATOM 19 O LIG 1 -11.341 -1.040 -2.094 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 -10.423 -0.159 -2.597 0.00 0.00 +0.128 A ATOM 21 C LIG 1 -10.953 0.860 -3.393 0.00 0.00 +0.091 A ATOM 22 C LIG 1 -10.109 1.802 -3.966 0.00 0.00 +0.120 A ATOM 23 C LIG 1 -8.738 1.742 -3.758 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -8.211 0.730 -2.951 0.00 0.00 +0.011 A ATOM 25 C LIG 1 -9.049 -0.216 -2.332 0.00 0.00 +0.003 A BRANCH 17 26 ATOM 26 C LIG 1 -9.905 -1.474 0.725 0.00 0.00 -0.040 A ATOM 27 C LIG 1 -10.742 -0.364 0.911 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -10.993 0.140 2.190 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -10.409 -0.452 3.306 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -9.572 -1.551 3.144 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -9.322 -2.057 1.866 0.00 0.00 +0.004 A ENDBRANCH 17 26 BRANCH 22 32 ATOM 32 O LIG 1 -10.669 2.774 -4.740 0.00 0.00 -0.507 OA ATOM 33 H LIG 1 -9.962 3.342 -5.086 0.00 0.00 +0.292 HD ENDBRANCH 22 32 ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 1 34 ATOM 34 C LIG 1 1.067 0.107 -1.150 0.00 0.00 +0.088 C BRANCH 34 45 ATOM 35 N LIG 1 11.013 -0.033 0.585 0.00 0.00 -0.281 N ATOM 36 C LIG 1 10.889 -0.604 -0.672 0.00 0.00 +0.248 C ATOM 37 O LIG 1 11.776 -0.904 -1.448 0.00 0.00 -0.270 OA ATOM 38 C LIG 1 9.454 -0.745 -0.935 0.00 0.00 +0.045 A ATOM 39 C LIG 1 8.816 -1.266 -2.055 0.00 0.00 +0.014 A ATOM 40 C LIG 1 7.417 -1.246 -2.082 0.00 0.00 +0.008 A ATOM 41 C LIG 1 6.725 -0.716 -0.989 0.00 0.00 +0.004 A ATOM 42 C LIG 1 5.253 -0.500 -0.796 0.00 0.00 +0.036 C ATOM 43 C LIG 1 4.370 -1.716 -1.141 0.00 0.00 +0.030 C ATOM 44 C LIG 1 2.967 -1.321 -1.622 0.00 0.00 +0.085 C ATOM 45 N LIG 1 2.509 -0.113 -0.933 0.00 0.00 -0.302 NA ATOM 46 C LIG 1 3.310 1.058 -1.334 0.00 0.00 +0.085 C ATOM 47 C LIG 1 4.788 0.731 -1.592 0.00 0.00 +0.030 C ATOM 48 C LIG 1 5.283 -0.218 0.731 0.00 0.00 +0.240 C ATOM 49 O LIG 1 6.589 0.307 1.084 0.00 0.00 -0.490 OA ATOM 50 C LIG 1 7.403 -0.205 0.116 0.00 0.00 +0.130 A ATOM 51 C LIG 1 8.769 -0.206 0.151 0.00 0.00 +0.024 A ATOM 52 C LIG 1 9.718 0.293 1.179 0.00 0.00 +0.148 C BRANCH 35 59 ATOM 53 O LIG 1 14.860 2.966 3.155 0.00 0.00 -0.275 OA ATOM 54 C LIG 1 14.110 2.224 2.528 0.00 0.00 +0.219 C ATOM 55 N LIG 1 13.397 1.237 3.162 0.00 0.00 -0.255 N ATOM 56 H LIG 1 13.493 1.206 4.169 0.00 0.00 +0.158 HD ATOM 57 C LIG 1 12.423 0.423 2.629 0.00 0.00 +0.240 C ATOM 58 O LIG 1 11.760 -0.302 3.366 0.00 0.00 -0.273 OA ATOM 59 C LIG 1 12.289 0.457 1.098 0.00 0.00 +0.163 C ATOM 60 C LIG 1 12.569 1.872 0.590 0.00 0.00 +0.041 C ATOM 61 C LIG 1 13.957 2.310 1.029 0.00 0.00 +0.098 C ENDBRANCH 35 59 ENDBRANCH 34 45 ENDBRANCH 1 34 TORSDOF 7