REMARK Name = BDB001374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -4.260 0.019 -1.005 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -3.075 -0.045 -1.272 0.00 0.00 +0.250 C ATOM 3 N LIG 1 -2.072 -0.708 -0.597 0.00 0.00 -0.257 N ATOM 4 C LIG 1 -0.739 -0.459 -1.162 0.00 0.00 +0.192 C ATOM 5 C LIG 1 -1.096 0.312 -2.425 0.00 0.00 +0.019 A ATOM 6 C LIG 1 -0.308 0.726 -3.493 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -0.911 1.436 -4.538 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -2.288 1.716 -4.521 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -3.084 1.279 -3.463 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -2.463 0.581 -2.442 0.00 0.00 +0.045 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -0.007 -1.786 -1.411 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -0.364 -2.624 -2.486 0.00 0.00 +0.008 A ATOM 13 C LIG 1 0.289 -3.840 -2.701 0.00 0.00 +0.000 A ATOM 14 C LIG 1 1.300 -4.252 -1.838 0.00 0.00 +0.000 A ATOM 15 C LIG 1 1.652 -3.455 -0.752 0.00 0.00 +0.000 A ATOM 16 C LIG 1 1.000 -2.240 -0.537 0.00 0.00 +0.008 A ENDBRANCH 4 11 BRANCH 3 17 ATOM 17 C LIG 1 -2.301 -1.404 0.658 0.00 0.00 +0.146 C BRANCH 17 18 ATOM 18 C LIG 1 -2.001 -0.580 1.888 0.00 0.00 -0.030 A ATOM 19 C LIG 1 -0.949 -0.934 2.745 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -0.679 -0.178 3.888 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -1.458 0.937 4.188 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -2.507 1.300 3.345 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -2.778 0.545 2.202 0.00 0.00 +0.005 A ENDBRANCH 17 18 ENDBRANCH 3 17 BRANCH 4 24 ATOM 24 O LIG 1 -0.078 0.372 -0.211 0.00 0.00 -0.343 OA BRANCH 24 25 ATOM 25 C LIG 1 1.067 1.090 -0.638 0.00 0.00 +0.198 C BRANCH 25 26 ATOM 26 C LIG 1 1.831 1.493 0.600 0.00 0.00 -0.020 A ATOM 27 C LIG 1 3.165 1.110 0.782 0.00 0.00 +0.040 A ATOM 28 C LIG 1 3.834 1.486 1.956 0.00 0.00 +0.145 A ATOM 29 C LIG 1 3.211 2.230 2.957 0.00 0.00 +0.071 A ATOM 30 CL LIG 1 3.979 2.668 4.437 0.00 0.00 -0.081 Cl ATOM 31 C LIG 1 1.884 2.616 2.768 0.00 0.00 +0.022 A ATOM 32 C LIG 1 1.203 2.253 1.601 0.00 0.00 +0.007 A BRANCH 28 33 ATOM 33 N LIG 1 5.206 1.064 2.108 0.00 0.00 +0.058 N ATOM 34 O LIG 1 6.079 1.938 2.037 0.00 0.00 -0.126 OA ATOM 35 O LIG 1 5.403 -0.151 2.241 0.00 0.00 -0.126 OA ENDBRANCH 28 33 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 7