REMARK Name = BDB007190 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.052 0.768 -0.061 0.00 0.00 +0.030 A ATOM 2 C LIG 1 -2.804 0.163 -0.255 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -1.928 0.608 -1.259 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -0.590 -0.064 -1.516 0.00 0.00 +0.142 C ATOM 5 N LIG 1 0.430 0.958 -1.864 0.00 0.00 -0.260 N ATOM 6 C LIG 1 0.110 1.957 -2.799 0.00 0.00 +0.225 C ATOM 7 C LIG 1 -1.359 2.080 -3.186 0.00 0.00 +0.131 C ATOM 8 O LIG 1 0.912 2.750 -3.298 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 -2.301 1.674 -2.088 0.00 0.00 -0.033 A ATOM 10 C LIG 1 -3.544 2.281 -1.915 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -4.402 1.834 -0.906 0.00 0.00 +0.023 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 -0.624 -1.204 -2.552 0.00 0.00 -0.022 A ATOM 13 C LIG 1 0.514 -2.020 -2.713 0.00 0.00 +0.007 A ATOM 14 C LIG 1 0.532 -3.071 -3.635 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.593 -3.330 -4.409 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -0.576 -4.623 -5.543 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -1.735 -2.550 -4.264 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -1.752 -1.498 -3.341 0.00 0.00 +0.007 A ENDBRANCH 4 12 BRANCH 5 19 ATOM 19 C LIG 1 1.760 0.823 -1.333 0.00 0.00 +0.037 A ATOM 20 C LIG 1 2.891 1.141 -2.092 0.00 0.00 +0.025 A ATOM 21 C LIG 1 4.189 0.981 -1.580 0.00 0.00 +0.025 A ATOM 22 C LIG 1 4.412 0.513 -0.283 0.00 0.00 +0.030 A ATOM 23 C LIG 1 3.276 0.198 0.476 0.00 0.00 +0.025 A ATOM 24 C LIG 1 1.978 0.351 -0.033 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 5.688 0.332 0.278 0.00 0.00 -0.329 N ATOM 26 C LIG 1 6.810 0.207 -0.658 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 5.944 1.226 1.427 0.00 0.00 +0.140 C BRANCH 27 28 ATOM 28 C LIG 1 6.936 0.617 2.392 0.00 0.00 -0.027 A ATOM 29 C LIG 1 6.779 -0.695 2.854 0.00 0.00 +0.025 A ATOM 30 C LIG 1 7.700 -1.199 3.757 0.00 0.00 +0.111 A ATOM 31 N LIG 1 8.747 -0.493 4.236 0.00 0.00 -0.263 NA ATOM 32 C LIG 1 8.877 0.774 3.788 0.00 0.00 +0.111 A ATOM 33 C LIG 1 8.010 1.367 2.883 0.00 0.00 +0.025 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 5 19 BRANCH 1 34 ATOM 34 N LIG 1 -4.960 0.358 0.937 0.00 0.00 -0.327 N BRANCH 34 35 ATOM 35 C LIG 1 -5.106 1.369 2.018 0.00 0.00 +0.067 C ATOM 36 C LIG 1 -4.459 0.944 3.336 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -6.577 1.742 2.205 0.00 0.00 +0.027 C ENDBRANCH 34 35 BRANCH 34 38 ATOM 38 C LIG 1 -4.978 -1.085 1.236 0.00 0.00 +0.105 C BRANCH 38 40 ATOM 39 C LIG 1 -6.425 -3.084 1.748 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -6.356 -1.565 1.693 0.00 0.00 +0.015 C ENDBRANCH 38 40 ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 9