REMARK Name = BDB011178 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.797 -3.412 1.432 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -2.668 -2.008 1.401 0.00 0.00 +0.114 A ATOM 3 N LIG 1 -3.355 -1.254 2.287 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 -3.316 0.086 2.182 0.00 0.00 +0.127 A ATOM 5 C LIG 1 -2.525 0.738 1.264 0.00 0.00 +0.082 A ATOM 6 C LIG 1 -1.680 0.005 0.448 0.00 0.00 +0.070 A ATOM 7 N LIG 1 -0.702 0.767 -0.269 0.00 0.00 -0.289 N ATOM 8 C LIG 1 -0.957 2.124 -0.593 0.00 0.00 +0.337 A ATOM 9 O LIG 1 -0.100 2.784 -1.186 0.00 0.00 -0.246 OA ATOM 10 N LIG 1 -2.164 2.655 -0.125 0.00 0.00 -0.228 N ATOM 11 C LIG 1 -2.600 2.189 1.109 0.00 0.00 +0.270 A ATOM 12 O LIG 1 -3.028 2.839 2.056 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 -1.836 -1.409 0.419 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.283 -2.248 -0.575 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -1.434 -3.631 -0.543 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -2.173 -4.216 0.474 0.00 0.00 +0.048 A ENDROOT BRANCH 10 17 ATOM 17 C LIG 1 -2.695 3.888 -0.688 0.00 0.00 +0.056 A ATOM 18 C LIG 1 -2.277 4.360 -1.948 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -2.815 5.522 -2.513 0.00 0.00 +0.043 A ATOM 20 CL LIG 1 -2.260 6.058 -4.054 0.00 0.00 -0.083 Cl ATOM 21 C LIG 1 -3.803 6.240 -1.855 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -4.265 5.781 -0.630 0.00 0.00 +0.003 A ATOM 23 C LIG 1 -3.727 4.616 -0.064 0.00 0.00 +0.026 A ENDBRANCH 10 17 BRANCH 7 24 ATOM 24 C LIG 1 0.726 0.359 -0.354 0.00 0.00 +0.095 C ATOM 25 C LIG 1 1.175 -0.005 -1.777 0.00 0.00 +0.042 C ATOM 26 C LIG 1 2.190 -1.144 -1.788 0.00 0.00 +0.112 C ATOM 27 N LIG 1 3.266 -0.876 -0.801 0.00 0.00 -0.166 NA ATOM 28 C LIG 1 2.791 -0.700 0.599 0.00 0.00 +0.112 C ATOM 29 C LIG 1 1.269 -0.605 0.708 0.00 0.00 +0.042 C BRANCH 27 30 ATOM 30 S LIG 1 4.633 -1.872 -1.009 0.00 0.00 +0.099 S ATOM 31 O LIG 1 4.923 -1.919 -2.424 0.00 0.00 -0.141 OA ATOM 32 O LIG 1 4.414 -3.084 -0.254 0.00 0.00 -0.141 OA BRANCH 30 33 ATOM 33 N LIG 1 5.830 -0.955 -0.278 0.00 0.00 -0.172 NA ATOM 34 C LIG 1 6.145 0.346 -0.884 0.00 0.00 +0.132 C ATOM 35 C LIG 1 6.009 -1.005 1.175 0.00 0.00 +0.132 C ENDBRANCH 30 33 ENDBRANCH 27 30 ENDBRANCH 7 24 BRANCH 1 37 ATOM 36 C LIG 1 -3.736 -5.323 2.542 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -3.585 -3.914 2.446 0.00 0.00 -0.493 OA ENDBRANCH 1 37 TORSDOF 5