REMARK Name = BDB011427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.456 0.567 -0.307 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.520 -0.449 -0.089 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.702 0.064 -0.417 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.108 -0.408 -0.412 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.784 0.791 -1.019 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.855 1.850 -1.261 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -2.040 2.967 -1.714 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.570 1.335 -0.878 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.777 1.678 -0.816 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.146 0.838 -1.335 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.780 1.965 -1.717 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -6.136 2.010 -2.012 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.713 3.291 -2.397 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.963 0.889 -1.926 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -8.170 0.908 -2.157 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -6.266 -0.373 -1.531 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -7.187 -1.827 -1.444 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.952 -0.372 -1.266 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 1 20 ATOM 19 C LIG 1 3.830 0.120 -1.004 0.00 0.00 +0.228 A ATOM 20 C LIG 1 2.891 0.475 -0.056 0.00 0.00 +0.078 A ATOM 21 C LIG 1 3.431 0.806 1.163 0.00 0.00 +0.129 A ATOM 22 N LIG 1 4.749 0.753 1.446 0.00 0.00 -0.222 NA ATOM 23 C LIG 1 5.588 0.373 0.467 0.00 0.00 +0.220 A ATOM 24 N LIG 1 5.156 0.054 -0.763 0.00 0.00 -0.179 NA BRANCH 23 25 ATOM 25 N LIG 1 6.952 0.279 0.747 0.00 0.00 -0.306 N ATOM 26 C LIG 1 7.382 1.038 1.912 0.00 0.00 +0.132 C ATOM 27 C LIG 1 7.813 0.335 -0.423 0.00 0.00 +0.132 C ENDBRANCH 23 25 BRANCH 19 29 ATOM 28 C LIG 1 4.403 -0.538 -3.185 0.00 0.00 +0.279 C ATOM 29 O LIG 1 3.366 -0.210 -2.268 0.00 0.00 -0.479 OA ENDBRANCH 19 29 ENDBRANCH 1 20 BRANCH 4 30 ATOM 30 C LIG 1 -2.604 -0.734 0.991 0.00 0.00 -0.021 A ATOM 31 C LIG 1 -2.739 0.259 1.977 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -3.183 -0.063 3.262 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -3.498 -1.385 3.585 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -3.366 -2.383 2.616 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -2.921 -2.061 1.330 0.00 0.00 +0.007 A BRANCH 33 36 ATOM 36 C LIG 1 -3.950 -1.717 4.904 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -4.311 -1.991 5.973 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 4 30 BRANCH 2 38 ATOM 38 C LIG 1 0.736 -1.810 0.403 0.00 0.00 +0.081 C ATOM 39 C LIG 1 1.040 -1.847 1.900 0.00 0.00 +0.030 C ATOM 40 C LIG 1 1.749 -2.619 -0.406 0.00 0.00 +0.030 C ENDBRANCH 2 38 TORSDOF 7