REMARK Name = BDB052473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.142 0.288 1.569 0.00 0.00 +0.141 A ATOM 2 N LIG 1 -1.847 -0.174 1.635 0.00 0.00 -0.335 N ATOM 3 H LIG 1 -1.226 -0.280 0.850 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 -1.548 -0.500 2.932 0.00 0.00 +0.108 A ATOM 5 C LIG 1 -2.728 -0.229 3.611 0.00 0.00 +0.180 A ATOM 6 N LIG 1 -2.893 -0.429 4.936 0.00 0.00 -0.233 NA ATOM 7 C LIG 1 -1.801 -0.929 5.556 0.00 0.00 +0.135 A ATOM 8 C LIG 1 -0.584 -1.230 4.948 0.00 0.00 +0.082 A ATOM 9 CL LIG 1 0.692 -1.870 5.926 0.00 0.00 -0.080 Cl ATOM 10 C LIG 1 -0.405 -1.010 3.565 0.00 0.00 +0.077 A ATOM 11 N LIG 1 -3.691 0.249 2.770 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 15 ATOM 12 C LIG 1 -5.176 1.593 -2.040 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -3.787 1.378 -2.013 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -3.108 0.962 -0.855 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -3.800 0.728 0.335 0.00 0.00 +0.017 A ATOM 16 C LIG 1 -5.182 0.928 0.328 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -5.851 1.342 -0.835 0.00 0.00 +0.024 A BRANCH 12 19 ATOM 18 C LIG 1 -5.072 2.610 -4.281 0.00 0.00 +0.129 C ATOM 19 N LIG 1 -5.843 1.988 -3.205 0.00 0.00 -0.336 N ATOM 20 C LIG 1 -7.243 2.401 -3.117 0.00 0.00 +0.129 C ENDBRANCH 12 19 ENDBRANCH 1 15 BRANCH 10 21 ATOM 21 N LIG 1 0.806 -1.311 2.925 0.00 0.00 -0.325 N ATOM 22 C LIG 1 0.775 -2.570 2.161 0.00 0.00 +0.120 C ATOM 23 C LIG 1 2.197 -2.927 1.662 0.00 0.00 +0.104 C ATOM 24 N LIG 1 2.895 -1.854 0.905 0.00 0.00 -0.291 NA ATOM 25 C LIG 1 2.867 -0.617 1.737 0.00 0.00 +0.104 C ATOM 26 C LIG 1 1.472 -0.184 2.253 0.00 0.00 +0.120 C BRANCH 24 27 ATOM 27 C LIG 1 2.251 -1.651 -0.416 0.00 0.00 +0.180 C BRANCH 27 28 ATOM 28 C LIG 1 3.103 -0.759 -1.329 0.00 0.00 +0.231 C ATOM 29 N LIG 1 4.458 -0.956 -1.137 0.00 0.00 -0.284 N ATOM 30 H LIG 1 4.672 -1.566 -0.350 0.00 0.00 +0.155 HD ATOM 31 O LIG 1 2.572 -0.007 -2.140 0.00 0.00 -0.274 OA BRANCH 29 32 ATOM 32 C LIG 1 5.533 -0.351 -1.810 0.00 0.00 +0.035 A ATOM 33 C LIG 1 5.382 0.527 -2.884 0.00 0.00 +0.043 A ATOM 34 C LIG 1 6.510 1.082 -3.495 0.00 0.00 +0.043 A ATOM 35 CL LIG 1 6.319 2.165 -4.820 0.00 0.00 -0.083 Cl ATOM 36 C LIG 1 7.791 0.768 -3.046 0.00 0.00 +0.020 A ATOM 37 C LIG 1 7.948 -0.110 -1.976 0.00 0.00 +0.003 A ATOM 38 C LIG 1 6.823 -0.666 -1.363 0.00 0.00 +0.023 A ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 10 21 TORSDOF 6