REMARK Name = BDB060038 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.170 -1.022 -0.102 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.253 -0.189 -0.724 0.00 0.00 -0.286 N ATOM 3 C LIG 1 0.461 -0.679 -1.915 0.00 0.00 +0.165 C ATOM 4 C LIG 1 1.160 0.550 -2.507 0.00 0.00 +0.068 C ATOM 5 C LIG 1 0.444 1.768 -1.919 0.00 0.00 +0.084 C ATOM 6 C LIG 1 -0.125 1.254 -0.587 0.00 0.00 +0.143 C ATOM 7 O LIG 1 -1.214 -2.219 -0.407 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.543 -1.738 -1.623 0.00 0.00 +0.234 C ATOM 9 N LIG 1 2.029 -1.714 -0.336 0.00 0.00 -0.310 N ATOM 10 H LIG 1 1.569 -1.106 0.326 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 2.044 -2.420 -2.515 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 3.145 -2.514 0.099 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 4.358 -1.641 0.286 0.00 0.00 -0.030 A ATOM 14 C LIG 1 4.700 -1.145 1.552 0.00 0.00 +0.013 A ATOM 15 C LIG 1 5.811 -0.300 1.727 0.00 0.00 -0.013 A ATOM 16 C LIG 1 6.600 0.070 0.616 0.00 0.00 +0.022 A ATOM 17 C LIG 1 7.703 0.925 0.857 0.00 0.00 +0.124 A ATOM 18 N LIG 1 8.020 1.390 2.079 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 7.246 1.013 3.114 0.00 0.00 +0.113 A ATOM 20 C LIG 1 6.238 -0.433 -0.656 0.00 0.00 +0.012 A ATOM 21 C LIG 1 6.147 0.184 2.993 0.00 0.00 +0.028 A ATOM 22 C LIG 1 5.133 -1.272 -0.817 0.00 0.00 +0.006 A BRANCH 17 23 ATOM 23 N LIG 1 8.545 1.341 -0.188 0.00 0.00 -0.343 N ATOM 24 H LIG 1 7.997 1.835 -0.884 0.00 0.00 +0.144 HD ATOM 25 H LIG 1 8.963 0.525 -0.622 0.00 0.00 +0.144 HD ENDBRANCH 17 23 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 5 26 ATOM 26 C LIG 1 -0.615 2.380 -2.853 0.00 0.00 +0.033 C ATOM 27 C LIG 1 -1.745 1.465 -3.292 0.00 0.00 +0.007 C ENDBRANCH 5 26 BRANCH 5 28 ATOM 28 O LIG 1 1.403 2.807 -1.676 0.00 0.00 -0.387 OA ATOM 29 H LIG 1 2.147 2.441 -1.168 0.00 0.00 +0.210 HD ENDBRANCH 5 28 BRANCH 1 30 ATOM 30 C LIG 1 -2.117 -0.491 1.020 0.00 0.00 +0.144 C BRANCH 30 31 ATOM 31 C LIG 1 -1.334 -0.008 2.278 0.00 0.00 +0.012 C ATOM 32 C LIG 1 -0.434 -1.129 2.824 0.00 0.00 +0.009 C BRANCH 31 34 ATOM 33 C LIG 1 -3.272 -0.438 3.956 0.00 0.00 +0.004 C ATOM 34 C LIG 1 -2.230 0.534 3.421 0.00 0.00 +0.002 C ENDBRANCH 31 34 ENDBRANCH 30 31 BRANCH 30 35 ATOM 35 N LIG 1 -3.014 0.539 0.448 0.00 0.00 -0.303 NA ATOM 36 H LIG 1 -3.161 1.290 1.119 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -4.335 0.037 0.027 0.00 0.00 +0.054 C ATOM 38 C LIG 1 -5.154 1.250 -0.457 0.00 0.00 +0.019 C ATOM 39 C LIG 1 -6.546 0.849 -0.937 0.00 0.00 +0.002 C ATOM 40 C LIG 1 -6.476 -0.219 -2.021 0.00 0.00 +0.000 C ATOM 41 C LIG 1 -5.682 -1.431 -1.552 0.00 0.00 +0.002 C ATOM 42 C LIG 1 -4.286 -1.044 -1.066 0.00 0.00 +0.019 C ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 11