REMARK Name = BDB024144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.871 -1.473 -1.151 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.642 -2.969 -0.976 0.00 0.00 -0.022 A ATOM 3 C LIG 1 2.111 -3.856 -1.959 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.916 -5.232 -1.831 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.258 -5.742 -0.715 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.804 -4.879 0.279 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.999 -3.502 0.154 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.525 -0.920 -1.030 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -0.573 -1.748 -1.615 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 0.741 -0.560 -0.580 0.00 0.00 +0.239 C ATOM 11 O LIG 1 0.987 0.404 0.144 0.00 0.00 -0.273 OA BRANCH 8 16 ATOM 12 C LIG 1 -4.315 0.800 -0.236 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -3.164 1.377 0.324 0.00 0.00 +0.051 A ATOM 14 CL LIG 1 -3.231 2.757 1.370 0.00 0.00 -0.083 Cl ATOM 15 C LIG 1 -1.897 0.828 0.073 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -1.758 -0.305 -0.731 0.00 0.00 +0.035 A ATOM 17 C LIG 1 -2.905 -0.885 -1.282 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.170 -0.341 -1.037 0.00 0.00 +0.012 A BRANCH 12 23 ATOM 19 C LIG 1 -8.280 3.773 -0.185 0.00 0.00 +0.172 C ATOM 20 N LIG 1 -7.398 2.642 -0.034 0.00 0.00 -0.274 N ATOM 21 N LIG 1 -7.873 1.495 0.488 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 -6.806 0.691 0.498 0.00 0.00 +0.143 A ATOM 23 C LIG 1 -5.652 1.317 -0.022 0.00 0.00 +0.021 A ATOM 24 C LIG 1 -6.080 2.576 -0.382 0.00 0.00 +0.116 A ENDBRANCH 12 23 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 3.219 -1.023 -0.722 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 3.224 -0.002 -0.809 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.541 -1.342 0.676 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 4.851 -0.667 1.127 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 4.846 0.846 1.080 0.00 0.00 -0.046 A ATOM 30 C LIG 1 3.867 1.591 1.752 0.00 0.00 +0.005 A ATOM 31 C LIG 1 3.874 2.987 1.701 0.00 0.00 +0.019 A ATOM 32 C LIG 1 4.868 3.658 0.984 0.00 0.00 +0.052 A ATOM 33 C LIG 1 5.855 2.925 0.320 0.00 0.00 +0.019 A ATOM 34 C LIG 1 5.845 1.528 0.369 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 4.877 5.090 0.930 0.00 0.00 +0.099 C ATOM 36 N LIG 1 4.889 6.250 0.885 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9