REMARK Name = BDB001937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.574 0.119 0.565 0.00 0.00 +0.019 A ATOM 2 C LIG 1 0.812 -0.133 0.363 0.00 0.00 +0.042 A ATOM 3 CA LIG 1 1.308 -0.800 1.472 0.00 0.00 +0.102 A ATOM 4 N LIG 1 0.235 -1.010 2.310 0.00 0.00 -0.356 N ATOM 5 H LIG 1 0.295 -1.513 3.187 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 -0.897 -0.458 1.778 0.00 0.00 +0.093 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 0.011 2.686 -0.965 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -1.285 1.946 -0.986 0.00 0.00 -0.006 A ATOM 9 C LIG 1 -1.556 0.785 -0.286 0.00 0.00 +0.080 A ATOM 10 N LIG 1 -2.758 0.167 -0.325 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 -3.713 0.688 -1.098 0.00 0.00 +0.220 A ATOM 12 N LIG 1 -3.538 1.797 -1.830 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 -2.334 2.395 -1.759 0.00 0.00 +0.120 A BRANCH 11 14 ATOM 14 N LIG 1 -4.983 0.123 -1.192 0.00 0.00 -0.283 N ATOM 15 H LIG 1 -5.524 0.681 -1.834 0.00 0.00 +0.155 HD BRANCH 14 16 ATOM 16 C LIG 1 -5.563 -1.065 -0.722 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -6.951 -1.285 -0.887 0.00 0.00 +0.006 A ATOM 18 C LIG 1 -7.833 -0.288 -1.588 0.00 0.00 +0.048 C ATOM 19 C LIG 1 -7.526 -2.466 -0.393 0.00 0.00 +0.128 A ATOM 20 F LIG 1 -8.839 -2.691 -0.555 0.00 0.00 -0.205 F ATOM 21 C LIG 1 -6.773 -3.424 0.273 0.00 0.00 +0.039 A ATOM 22 C LIG 1 -5.415 -3.210 0.457 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -4.823 -2.041 -0.031 0.00 0.00 +0.024 A ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 1 9 BRANCH 3 24 ATOM 24 C LIG 1 2.629 -1.278 1.786 0.00 0.00 +0.261 C ATOM 25 N LIG 1 3.647 -0.914 0.931 0.00 0.00 -0.301 N ATOM 26 H LIG 1 4.289 -1.696 0.951 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 2.873 -2.010 2.741 0.00 0.00 -0.269 OA BRANCH 25 28 ATOM 28 CA LIG 1 4.431 0.273 1.296 0.00 0.00 +0.129 C BRANCH 28 29 ATOM 29 C LIG 1 5.755 0.288 0.541 0.00 0.00 -0.024 A ATOM 30 C LIG 1 5.829 -0.058 -0.820 0.00 0.00 +0.025 A ATOM 31 C LIG 1 7.051 -0.021 -1.493 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 7.120 -0.444 -3.159 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 8.212 0.361 -0.827 0.00 0.00 +0.020 A ATOM 34 C LIG 1 8.153 0.709 0.522 0.00 0.00 +0.002 A ATOM 35 C LIG 1 6.933 0.675 1.201 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 3.693 1.629 1.137 0.00 0.00 +0.182 C BRANCH 36 37 ATOM 37 O LIG 1 3.307 1.917 -0.208 0.00 0.00 -0.393 OA ATOM 38 H LIG 1 4.123 2.018 -0.729 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 28 36 ENDBRANCH 25 28 ENDBRANCH 3 24 TORSDOF 8