REMARK Name = BDB032236 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.868 -1.533 -0.718 0.00 0.00 -0.012 A ATOM 2 C LIG 1 0.159 -0.957 -1.766 0.00 0.00 +0.118 A ATOM 3 N LIG 1 -1.188 -1.009 -1.893 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 -1.883 -1.646 -0.935 0.00 0.00 +0.119 A ATOM 5 C LIG 1 -1.261 -2.255 0.149 0.00 0.00 +0.044 A ATOM 6 C LIG 1 0.127 -2.192 0.262 0.00 0.00 +0.010 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.266 -1.685 -1.125 0.00 0.00 -0.329 N ATOM 8 H LIG 1 -3.376 -1.177 -2.006 0.00 0.00 +0.147 HD BRANCH 7 9 ATOM 9 C LIG 1 -4.033 -1.056 -0.050 0.00 0.00 +0.107 C BRANCH 9 10 ATOM 10 C LIG 1 -5.543 -1.183 -0.344 0.00 0.00 +0.015 C ATOM 11 C LIG 1 -6.016 -0.190 -1.423 0.00 0.00 +0.079 C ATOM 12 C LIG 1 -6.197 1.190 -0.885 0.00 0.00 +0.110 A ATOM 13 N LIG 1 -6.361 1.436 0.454 0.00 0.00 -0.334 N ATOM 14 C LIG 1 -6.529 2.777 0.625 0.00 0.00 +0.107 A ATOM 15 C LIG 1 -6.463 3.301 -0.645 0.00 0.00 +0.130 A ATOM 16 C LIG 1 -6.287 0.430 1.492 0.00 0.00 +0.123 C ATOM 17 N LIG 1 -6.257 2.310 -1.572 0.00 0.00 -0.241 NA ATOM 18 C LIG 1 -6.388 -0.990 0.934 0.00 0.00 +0.027 C ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 19 ATOM 19 C LIG 1 2.365 -1.428 -0.652 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 N LIG 1 2.737 -0.075 -0.262 0.00 0.00 -0.340 N ATOM 21 H LIG 1 2.108 0.322 0.433 0.00 0.00 +0.146 HD BRANCH 20 26 ATOM 22 C LIG 1 8.123 1.474 0.611 0.00 0.00 +0.124 A ATOM 23 C LIG 1 6.772 1.095 0.408 0.00 0.00 +0.023 A ATOM 24 C LIG 1 6.511 -0.112 -0.283 0.00 0.00 +0.007 A ATOM 25 C LIG 1 5.157 -0.498 -0.491 0.00 0.00 +0.033 A ATOM 26 C LIG 1 4.072 0.246 -0.013 0.00 0.00 +0.028 A ATOM 27 C LIG 1 4.356 1.450 0.631 0.00 0.00 +0.023 A ATOM 28 C LIG 1 7.614 -0.866 -0.733 0.00 0.00 +0.067 A ATOM 29 CL LIG 1 7.451 -2.359 -1.588 0.00 0.00 -0.081 Cl ATOM 30 C LIG 1 8.894 -0.400 -0.479 0.00 0.00 +0.133 A ATOM 31 C LIG 1 5.673 1.864 0.850 0.00 0.00 +0.014 A ATOM 32 N LIG 1 9.166 0.745 0.180 0.00 0.00 -0.239 NA BRANCH 22 33 ATOM 33 N LIG 1 8.459 2.659 1.282 0.00 0.00 -0.343 N ATOM 34 H LIG 1 8.070 2.642 2.220 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 8.071 3.453 0.782 0.00 0.00 +0.144 HD ENDBRANCH 22 33 ENDBRANCH 20 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7