REMARK Name = BDB004437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.149 -1.950 -2.670 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -0.811 -1.681 -1.533 0.00 0.00 +0.250 C ATOM 3 N LIG 1 -0.918 -0.474 -0.871 0.00 0.00 -0.257 N ATOM 4 C LIG 1 -0.393 -0.534 0.489 0.00 0.00 +0.192 C ATOM 5 C LIG 1 0.053 -1.977 0.601 0.00 0.00 +0.019 A ATOM 6 C LIG 1 0.624 -2.665 1.663 0.00 0.00 +0.009 A ATOM 7 C LIG 1 0.943 -4.015 1.482 0.00 0.00 +0.000 A ATOM 8 C LIG 1 0.689 -4.661 0.258 0.00 0.00 +0.001 A ATOM 9 C LIG 1 0.108 -3.968 -0.805 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -0.198 -2.635 -0.603 0.00 0.00 +0.045 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.478 -0.224 1.541 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -1.302 0.790 2.504 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -2.299 1.077 3.443 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -3.487 0.352 3.437 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -4.719 0.720 4.579 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -3.681 -0.668 2.510 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -2.684 -0.957 1.574 0.00 0.00 +0.010 A ENDBRANCH 4 11 BRANCH 3 18 ATOM 18 C LIG 1 -1.455 0.733 -1.475 0.00 0.00 +0.146 C BRANCH 18 19 ATOM 19 C LIG 1 -2.932 0.929 -1.222 0.00 0.00 -0.030 A ATOM 20 C LIG 1 -3.874 0.053 -1.785 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -5.237 0.208 -1.521 0.00 0.00 +0.033 A ATOM 22 C LIG 1 -5.663 1.252 -0.691 0.00 0.00 +0.126 A ATOM 23 C LIG 1 -4.738 2.147 -0.139 0.00 0.00 +0.033 A ATOM 24 C LIG 1 -3.378 1.983 -0.409 0.00 0.00 +0.007 A BRANCH 22 25 ATOM 25 N LIG 1 -7.091 1.405 -0.391 0.00 0.00 +0.056 N ATOM 26 O LIG 1 -7.858 0.499 -0.753 0.00 0.00 -0.126 OA ATOM 27 O LIG 1 -7.446 2.430 0.210 0.00 0.00 -0.126 OA ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 3 18 BRANCH 4 28 ATOM 28 O LIG 1 0.662 0.430 0.610 0.00 0.00 -0.344 OA BRANCH 28 29 ATOM 29 C LIG 1 1.980 0.139 0.119 0.00 0.00 +0.122 C ATOM 30 C LIG 1 2.917 0.752 1.171 0.00 0.00 +0.032 C ATOM 31 C LIG 1 4.412 0.572 0.928 0.00 0.00 +0.005 C ATOM 32 C LIG 1 5.044 1.684 0.084 0.00 0.00 +0.031 C ATOM 33 C LIG 1 5.535 1.224 -1.291 0.00 0.00 +0.115 C ATOM 34 C LIG 1 4.451 1.131 -2.365 0.00 0.00 +0.031 C ATOM 35 C LIG 1 3.323 0.145 -2.078 0.00 0.00 +0.005 C ATOM 36 C LIG 1 2.162 0.746 -1.277 0.00 0.00 +0.032 C BRANCH 33 37 ATOM 37 O LIG 1 6.486 2.182 -1.770 0.00 0.00 -0.392 OA ATOM 38 H LIG 1 7.235 2.193 -1.148 0.00 0.00 +0.210 HD ENDBRANCH 33 37 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 7