REMARK Name = BDB010635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.035 -1.201 -0.226 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.193 -1.117 0.412 0.00 0.00 -0.308 N ATOM 3 C LIG 1 1.036 -2.021 -0.195 0.00 0.00 +0.115 A ATOM 4 C LIG 1 0.284 -2.513 -1.253 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.734 -3.391 -2.164 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.009 -3.745 -1.949 0.00 0.00 +0.202 A ATOM 7 N LIG 1 2.819 -3.344 -0.952 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 2.339 -2.477 -0.032 0.00 0.00 +0.101 A ATOM 9 N LIG 1 -0.977 -2.002 -1.261 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -5.110 -0.544 -2.295 0.00 0.00 +0.040 C ATOM 11 C LIG 1 -4.106 -1.024 -1.252 0.00 0.00 +0.140 C ATOM 12 C LIG 1 -2.997 0.030 -0.917 0.00 0.00 +0.135 C ATOM 13 N LIG 1 -2.101 -0.460 0.181 0.00 0.00 -0.289 N ATOM 14 C LIG 1 -2.866 -1.020 1.324 0.00 0.00 +0.136 C ATOM 15 C LIG 1 -3.923 -2.034 0.867 0.00 0.00 +0.179 C ATOM 16 O LIG 1 -4.830 -1.459 -0.083 0.00 0.00 -0.373 OA BRANCH 12 17 ATOM 17 C LIG 1 -3.446 1.451 -0.568 0.00 0.00 -0.025 A ATOM 18 C LIG 1 -4.603 1.733 0.174 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -4.953 3.050 0.485 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -4.148 4.106 0.068 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -2.990 3.849 -0.661 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -2.643 2.533 -0.974 0.00 0.00 +0.005 A ENDBRANCH 12 17 ENDBRANCH 1 13 BRANCH 6 23 ATOM 23 C LIG 1 2.572 -4.694 -2.936 0.00 0.00 +0.220 A ATOM 24 N LIG 1 1.796 -5.135 -3.940 0.00 0.00 -0.269 N ATOM 25 H LIG 1 0.834 -4.894 -4.119 0.00 0.00 +0.174 HD ATOM 26 C LIG 1 2.544 -5.967 -4.675 0.00 0.00 +0.440 A ATOM 27 O LIG 1 2.182 -6.564 -5.675 0.00 0.00 -0.221 OA ATOM 28 O LIG 1 3.795 -6.037 -4.113 0.00 0.00 -0.295 OA ATOM 29 N LIG 1 3.771 -5.179 -2.965 0.00 0.00 -0.051 NA ENDBRANCH 6 23 BRANCH 8 30 ATOM 30 C LIG 1 3.241 -2.131 1.058 0.00 0.00 +0.004 A ATOM 31 C LIG 1 2.990 -2.564 2.370 0.00 0.00 +0.030 A ATOM 32 C LIG 1 3.863 -2.228 3.404 0.00 0.00 +0.042 A ATOM 33 CL LIG 1 3.520 -2.746 5.009 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 5.005 -1.472 3.151 0.00 0.00 +0.020 A ATOM 35 C LIG 1 5.281 -1.056 1.850 0.00 0.00 +0.002 A ATOM 36 C LIG 1 4.408 -1.389 0.811 0.00 0.00 +0.010 A ENDBRANCH 8 30 BRANCH 2 37 ATOM 37 C LIG 1 0.514 -0.151 1.450 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 0.643 1.299 0.946 0.00 0.00 +0.009 C ATOM 39 C LIG 1 1.847 1.486 0.010 0.00 0.00 +0.005 C ATOM 40 C LIG 1 1.985 2.938 -0.446 0.00 0.00 +0.003 C ATOM 41 C LIG 1 2.074 3.901 0.743 0.00 0.00 -0.014 C ATOM 42 C LIG 1 2.155 5.348 0.260 0.00 0.00 +0.007 C ATOM 43 C LIG 1 0.880 3.712 1.687 0.00 0.00 +0.003 C ATOM 44 C LIG 1 0.743 2.260 2.140 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 2 37 TORSDOF 6