REMARK Name = BDB005410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.365 0.420 -0.011 0.00 0.00 +0.146 A ATOM 2 N LIG 1 0.314 -0.486 -0.174 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.743 0.069 0.479 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -2.177 -0.200 0.734 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.485 1.001 1.586 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.386 1.895 1.710 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.334 2.977 2.272 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.307 1.236 1.018 0.00 0.00 +0.150 A ATOM 9 N LIG 1 0.995 1.460 0.735 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.806 1.330 2.000 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.679 0.395 2.593 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.257 -0.976 3.038 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -6.011 0.771 2.864 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.460 2.065 2.608 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.579 3.000 2.085 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.123 4.603 1.775 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.264 2.643 1.790 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.991 -0.268 -0.559 0.00 0.00 -0.018 A ATOM 19 C LIG 1 -3.590 -1.460 -1.031 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -3.540 -2.778 -0.304 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -4.329 -1.433 -2.233 0.00 0.00 +0.022 A ATOM 22 C LIG 1 -4.455 -0.263 -2.987 0.00 0.00 +0.052 A ATOM 23 C LIG 1 -3.844 0.904 -2.544 0.00 0.00 +0.019 A ATOM 24 C LIG 1 -3.121 0.899 -1.349 0.00 0.00 +0.007 A BRANCH 22 25 ATOM 25 C LIG 1 -5.205 -0.270 -4.208 0.00 0.00 +0.099 C ATOM 26 N LIG 1 -5.811 -0.284 -5.198 0.00 0.00 -0.191 NA ENDBRANCH 22 25 ENDBRANCH 4 18 BRANCH 1 28 ATOM 27 C LIG 1 3.023 0.708 -1.864 0.00 0.00 +0.131 A ATOM 28 C LIG 1 2.709 0.283 -0.563 0.00 0.00 +0.060 A ATOM 29 C LIG 1 3.728 -0.234 0.245 0.00 0.00 +0.028 A ATOM 30 C LIG 1 5.025 -0.362 -0.261 0.00 0.00 +0.038 A ATOM 31 C LIG 1 5.316 0.002 -1.581 0.00 0.00 +0.016 A ATOM 32 C LIG 1 4.311 0.543 -2.382 0.00 0.00 +0.047 A BRANCH 30 33 ATOM 33 C LIG 1 6.065 -0.972 0.594 0.00 0.00 +0.246 C ATOM 34 N LIG 1 7.250 -0.274 0.818 0.00 0.00 -0.304 N ATOM 35 C LIG 1 7.400 1.166 0.655 0.00 0.00 +0.132 C ATOM 36 C LIG 1 8.297 -0.940 1.573 0.00 0.00 +0.132 C ATOM 37 O LIG 1 5.829 -2.088 1.050 0.00 0.00 -0.270 OA ENDBRANCH 30 33 BRANCH 27 39 ATOM 38 C LIG 1 2.016 2.647 -2.564 0.00 0.00 +0.277 C ATOM 39 O LIG 1 2.058 1.224 -2.692 0.00 0.00 -0.494 OA ENDBRANCH 27 39 ENDBRANCH 1 28 BRANCH 2 40 ATOM 40 C LIG 1 0.292 -1.764 -0.875 0.00 0.00 +0.083 C ATOM 41 C LIG 1 0.253 -1.611 -2.393 0.00 0.00 +0.030 C ATOM 42 C LIG 1 1.377 -2.744 -0.428 0.00 0.00 +0.030 C ENDBRANCH 2 40 TORSDOF 7