REMARK Name = BDB010595 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.602 0.099 0.012 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -0.782 1.439 -0.256 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -1.874 1.458 -1.114 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -2.373 2.567 -1.683 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 -1.708 3.675 -1.343 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -0.652 3.767 -0.507 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 -2.393 0.214 -1.305 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -0.175 2.643 0.077 0.00 0.00 +0.101 A ATOM 9 C LIG 1 -1.643 -0.585 -0.588 0.00 0.00 +0.201 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -1.788 -1.932 -0.440 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -2.980 -2.300 0.368 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.364 -3.763 0.106 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -4.366 -4.045 1.212 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -3.837 -3.249 2.412 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -3.889 -3.961 -1.204 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -3.240 -3.096 -2.163 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -2.745 -2.315 1.871 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -1.813 -2.664 -1.752 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 -2.185 4.935 -1.949 0.00 0.00 +0.287 A ATOM 20 O LIG 1 -1.492 6.053 -1.604 0.00 0.00 -0.385 OA ATOM 21 C LIG 1 -2.118 7.050 -2.282 0.00 0.00 +0.436 A ATOM 22 O LIG 1 -1.814 8.229 -2.260 0.00 0.00 -0.221 OA ATOM 23 N LIG 1 -3.135 6.462 -2.980 0.00 0.00 -0.208 N ATOM 24 H LIG 1 -3.788 6.942 -3.584 0.00 0.00 +0.195 HD ATOM 25 N LIG 1 -3.178 5.121 -2.769 0.00 0.00 -0.127 NA ENDBRANCH 5 19 BRANCH 8 26 ATOM 26 C LIG 1 0.918 2.829 1.021 0.00 0.00 +0.004 A ATOM 27 C LIG 1 0.734 2.607 2.395 0.00 0.00 +0.030 A ATOM 28 C LIG 1 1.787 2.801 3.290 0.00 0.00 +0.042 A ATOM 29 CL LIG 1 1.548 2.493 4.965 0.00 0.00 -0.084 Cl ATOM 30 C LIG 1 3.030 3.237 2.838 0.00 0.00 +0.020 A ATOM 31 C LIG 1 3.220 3.489 1.481 0.00 0.00 +0.002 A ATOM 32 C LIG 1 2.170 3.291 0.581 0.00 0.00 +0.010 A ENDBRANCH 8 26 BRANCH 1 33 ATOM 33 C LIG 1 0.473 -0.541 0.750 0.00 0.00 +0.128 C BRANCH 33 38 ATOM 34 C LIG 1 5.550 -1.567 -1.193 0.00 0.00 +0.007 C ATOM 35 C LIG 1 4.543 -1.347 -0.064 0.00 0.00 -0.014 C ATOM 36 C LIG 1 3.658 -2.593 0.108 0.00 0.00 +0.003 C ATOM 37 C LIG 1 2.327 -2.240 0.761 0.00 0.00 +0.005 C ATOM 38 C LIG 1 1.492 -1.296 -0.129 0.00 0.00 +0.009 C ATOM 39 C LIG 1 2.383 -0.352 -0.964 0.00 0.00 +0.005 C ATOM 40 C LIG 1 3.719 -0.066 -0.284 0.00 0.00 +0.003 C ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 5