REMARK Name = BDB012149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.301 0.992 1.190 0.00 0.00 +0.019 A ATOM 2 C LIG 1 1.404 1.823 1.016 0.00 0.00 -0.024 A ATOM 3 C LIG 1 1.379 3.312 1.199 0.00 0.00 +0.046 C ATOM 4 C LIG 1 2.598 1.081 0.640 0.00 0.00 +0.047 A ATOM 5 C LIG 1 2.320 -0.271 0.544 0.00 0.00 +0.059 A ATOM 6 S LIG 1 0.703 -0.654 0.904 0.00 0.00 -0.096 S ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.915 1.671 0.358 0.00 0.00 +0.245 C ATOM 8 N LIG 1 4.982 0.808 0.491 0.00 0.00 -0.307 N ATOM 9 H LIG 1 4.837 -0.024 1.049 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 4.055 2.849 0.044 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 6.341 1.297 0.434 0.00 0.00 +0.145 C BRANCH 11 12 ATOM 12 C LIG 1 7.235 0.201 -0.063 0.00 0.00 +0.037 A ATOM 13 C LIG 1 7.623 -0.817 0.966 0.00 0.00 +0.254 A ATOM 14 O LIG 1 7.162 -0.796 2.104 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 8.503 -1.790 0.568 0.00 0.00 -0.326 N ATOM 16 H LIG 1 8.755 -2.466 1.280 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 9.014 -1.904 -0.700 0.00 0.00 +0.016 A ATOM 18 C LIG 1 9.953 -3.041 -0.960 0.00 0.00 +0.063 C ATOM 19 C LIG 1 8.650 -1.009 -1.631 0.00 0.00 +0.024 A ATOM 20 C LIG 1 7.736 0.079 -1.313 0.00 0.00 -0.039 A ATOM 21 C LIG 1 7.418 0.992 -2.465 0.00 0.00 +0.044 C ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 4 7 BRANCH 1 24 ATOM 22 C LIG 1 -2.722 1.375 3.481 0.00 0.00 +0.035 C ATOM 23 C LIG 1 -1.410 1.114 2.813 0.00 0.00 -0.026 C ATOM 24 C LIG 1 -1.058 1.341 1.527 0.00 0.00 -0.038 C BRANCH 24 25 ATOM 25 C LIG 1 -1.985 1.984 0.503 0.00 0.00 +0.037 C BRANCH 25 26 ATOM 26 C LIG 1 -2.454 1.027 -0.601 0.00 0.00 +0.020 C BRANCH 26 27 ATOM 27 C LIG 1 -3.340 -0.131 -0.115 0.00 0.00 +0.085 C BRANCH 27 28 ATOM 28 N LIG 1 -4.574 0.295 0.565 0.00 0.00 -0.302 NA ATOM 29 C LIG 1 -5.204 -0.818 1.292 0.00 0.00 +0.086 C ATOM 30 C LIG 1 -5.884 -1.848 0.386 0.00 0.00 +0.034 C ATOM 31 C LIG 1 -6.913 -1.168 -0.535 0.00 0.00 +0.058 C ATOM 32 C LIG 1 -6.255 -0.000 -1.291 0.00 0.00 +0.034 C ATOM 33 C LIG 1 -5.552 0.949 -0.315 0.00 0.00 +0.086 C BRANCH 31 34 ATOM 34 N LIG 1 -7.621 -2.163 -1.372 0.00 0.00 -0.305 NA ATOM 35 C LIG 1 -6.815 -2.745 -2.445 0.00 0.00 +0.104 C ATOM 36 C LIG 1 -8.870 -1.630 -1.918 0.00 0.00 +0.104 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9