REMARK Name = BDB010386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.488 -1.658 -0.113 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.164 -1.549 -0.527 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.450 -2.607 -1.180 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.759 -2.341 -1.451 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.975 -1.139 -0.973 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.166 -3.756 -1.495 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.442 -3.767 -1.106 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.807 -0.572 -0.504 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.123 -2.801 -0.441 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -2.236 -4.975 -1.424 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.529 -5.016 -1.064 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.047 -4.295 -0.590 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.010 -6.198 -1.465 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.155 -6.593 -1.313 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -2.998 -6.893 -2.078 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -1.841 -6.048 -2.030 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 3.172 -0.480 -0.929 0.00 0.00 -0.289 N ATOM 18 C LIG 1 4.019 -0.907 0.245 0.00 0.00 +0.133 C ATOM 19 C LIG 1 5.533 -0.769 -0.081 0.00 0.00 +0.187 C ATOM 20 O LIG 1 5.959 -1.576 -1.191 0.00 0.00 -0.376 OA ATOM 21 C LIG 1 4.935 -1.743 -2.186 0.00 0.00 +0.179 C ATOM 22 C LIG 1 3.930 -0.583 -2.211 0.00 0.00 +0.136 C BRANCH 18 23 ATOM 23 C LIG 1 3.642 -0.092 1.477 0.00 0.00 -0.007 A ATOM 24 C LIG 1 2.993 -0.656 2.589 0.00 0.00 +0.046 A ATOM 25 CL LIG 1 2.550 -2.324 2.663 0.00 0.00 -0.083 Cl ATOM 26 C LIG 1 2.655 0.134 3.696 0.00 0.00 +0.020 A ATOM 27 C LIG 1 2.949 1.495 3.710 0.00 0.00 +0.001 A ATOM 28 C LIG 1 3.577 2.076 2.614 0.00 0.00 +0.000 A ATOM 29 C LIG 1 3.917 1.292 1.510 0.00 0.00 +0.007 A ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 30 ATOM 30 N LIG 1 -2.140 -0.660 0.603 0.00 0.00 -0.324 N ATOM 31 H LIG 1 -1.507 -0.219 1.260 0.00 0.00 +0.148 HD BRANCH 30 33 ATOM 32 C LIG 1 -4.540 -0.751 0.124 0.00 0.00 +0.028 C ATOM 33 C LIG 1 -3.453 -0.963 1.181 0.00 0.00 +0.072 C BRANCH 33 34 ATOM 34 C LIG 1 -3.717 -0.011 2.355 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -2.842 -0.218 3.625 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -4.085 0.157 4.455 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -4.936 -0.330 3.266 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 1 30 BRANCH 8 38 ATOM 38 C LIG 1 0.634 0.817 -0.121 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 -0.254 1.638 -1.079 0.00 0.00 +0.009 C ATOM 40 C LIG 1 0.426 1.895 -2.441 0.00 0.00 +0.005 C ATOM 41 C LIG 1 1.174 3.225 -2.471 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.238 4.423 -2.225 0.00 0.00 -0.014 C ATOM 43 C LIG 1 -0.196 5.073 -3.540 0.00 0.00 +0.007 C ATOM 44 C LIG 1 -0.997 4.044 -1.389 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -0.667 2.951 -0.382 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 8 38 TORSDOF 8