REMARK Name = BDB019847 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.226 -1.156 -0.157 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.423 0.222 -0.315 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.702 0.786 -0.183 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.781 -0.068 0.102 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.614 -1.458 0.226 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.322 -1.988 0.104 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.912 2.232 -0.354 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -1.181 3.166 0.392 0.00 0.00 +0.031 A ATOM 9 C LIG 1 -1.410 4.527 0.206 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -0.638 5.535 1.004 0.00 0.00 +0.065 C ATOM 11 N LIG 1 -2.315 4.999 -0.680 0.00 0.00 -0.260 NA ATOM 12 C LIG 1 -3.011 4.090 -1.395 0.00 0.00 +0.111 A ATOM 13 C LIG 1 -2.850 2.721 -1.268 0.00 0.00 +0.028 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 2.199 -0.983 -0.039 0.00 0.00 -0.303 N ATOM 15 H LIG 1 2.107 -0.041 0.322 0.00 0.00 +0.150 HD ATOM 16 C LIG 1 1.118 -1.786 -0.287 0.00 0.00 +0.245 C ATOM 17 O LIG 1 1.214 -2.974 -0.574 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 3.572 -1.452 -0.127 0.00 0.00 +0.125 C BRANCH 18 22 ATOM 19 C LIG 1 7.616 -1.114 2.873 0.00 0.00 +0.044 C ATOM 20 C LIG 1 6.393 -0.506 2.256 0.00 0.00 -0.047 A ATOM 21 C LIG 1 5.598 -1.244 1.376 0.00 0.00 +0.028 A ATOM 22 C LIG 1 4.447 -0.661 0.842 0.00 0.00 +0.062 A ATOM 23 N LIG 1 4.056 0.608 1.160 0.00 0.00 -0.258 NA ATOM 24 C LIG 1 4.836 1.294 2.022 0.00 0.00 +0.111 A ATOM 25 C LIG 1 5.993 0.787 2.591 0.00 0.00 +0.023 A ENDBRANCH 18 22 BRANCH 18 26 ATOM 26 C LIG 1 4.006 -1.364 -1.575 0.00 0.00 +0.015 C ATOM 27 C LIG 1 5.347 -0.855 -2.064 0.00 0.00 +0.006 C ATOM 28 C LIG 1 4.107 -0.037 -2.296 0.00 0.00 +0.006 C ENDBRANCH 18 26 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -3.773 -2.381 0.543 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 N LIG 1 -5.022 -1.958 -0.057 0.00 0.00 -0.313 N ATOM 31 C LIG 1 -5.320 -2.003 -1.425 0.00 0.00 +0.204 A ATOM 32 N LIG 1 -4.565 -2.292 -2.424 0.00 0.00 -0.268 NA ATOM 33 H LIG 1 -3.622 -2.491 -2.088 0.00 0.00 +0.190 HD ATOM 34 N LIG 1 -6.669 -1.647 -1.491 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -7.393 -1.534 -2.732 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -7.159 -1.392 -0.220 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -6.162 -1.591 0.653 0.00 0.00 +0.107 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 7