REMARK Name = BDB011550 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.526 -0.675 -0.769 0.00 0.00 -0.231 N ATOM 2 C LIG 1 2.165 0.668 -0.886 0.00 0.00 +0.075 A ATOM 3 C LIG 1 0.821 0.671 -1.270 0.00 0.00 +0.025 A ATOM 4 C LIG 1 0.135 1.892 -1.487 0.00 0.00 -0.019 A ATOM 5 C LIG 1 0.863 3.084 -1.288 0.00 0.00 +0.006 A ATOM 6 C LIG 1 2.189 3.071 -0.867 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.474 -0.694 -1.320 0.00 0.00 +0.143 A ATOM 8 C LIG 1 2.858 1.868 -0.646 0.00 0.00 +0.028 A ATOM 9 N LIG 1 1.479 -1.500 -0.993 0.00 0.00 -0.174 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 6.386 -2.345 -0.197 0.00 0.00 +0.038 A ATOM 11 C LIG 1 5.255 -3.024 0.272 0.00 0.00 +0.034 A ATOM 12 C LIG 1 3.965 -2.484 0.111 0.00 0.00 +0.078 A ATOM 13 C LIG 1 3.815 -1.241 -0.537 0.00 0.00 +0.083 A ATOM 14 C LIG 1 4.954 -0.576 -1.027 0.00 0.00 +0.030 A ATOM 15 C LIG 1 6.230 -1.124 -0.858 0.00 0.00 +0.015 A BRANCH 10 18 ATOM 16 N LIG 1 8.801 -2.113 0.058 0.00 0.00 -0.312 N ATOM 17 H LIG 1 8.617 -1.140 0.264 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 7.722 -2.973 -0.004 0.00 0.00 +0.244 C ATOM 19 O LIG 1 7.812 -4.188 0.122 0.00 0.00 -0.270 OA BRANCH 16 21 ATOM 20 C LIG 1 11.199 -1.616 0.053 0.00 0.00 +0.024 C ATOM 21 C LIG 1 10.117 -2.622 0.390 0.00 0.00 +0.101 C ENDBRANCH 16 21 ENDBRANCH 10 18 BRANCH 12 22 ATOM 22 C LIG 1 2.881 -3.218 0.712 0.00 0.00 +0.101 C ATOM 23 N LIG 1 2.070 -3.841 1.262 0.00 0.00 -0.191 NA ENDBRANCH 12 22 ENDBRANCH 1 13 BRANCH 4 24 ATOM 24 C LIG 1 -1.330 1.970 -1.879 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 N LIG 1 -2.232 1.757 -0.742 0.00 0.00 -0.262 N ATOM 26 C LIG 1 -2.273 2.727 0.307 0.00 0.00 +0.079 A ATOM 27 C LIG 1 -2.290 2.338 1.657 0.00 0.00 +0.142 A ATOM 28 C LIG 1 -2.284 3.289 2.679 0.00 0.00 +0.047 A ATOM 29 C LIG 1 -2.306 4.646 2.369 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -2.306 5.050 1.036 0.00 0.00 +0.002 A ATOM 31 O LIG 1 -2.134 1.035 2.044 0.00 0.00 -0.485 OA ATOM 32 C LIG 1 -3.253 0.178 1.773 0.00 0.00 +0.200 C ATOM 33 C LIG 1 -4.205 0.221 2.970 0.00 0.00 +0.054 C ATOM 34 C LIG 1 -3.988 0.439 0.453 0.00 0.00 +0.200 C ATOM 35 C LIG 1 -2.281 4.097 0.013 0.00 0.00 +0.027 A ATOM 36 C LIG 1 -2.954 0.568 -0.679 0.00 0.00 +0.244 C ATOM 37 O LIG 1 -2.818 -0.344 -1.504 0.00 0.00 -0.273 OA BRANCH 34 38 ATOM 38 N LIG 1 -4.889 -0.670 0.104 0.00 0.00 -0.300 N ATOM 39 H LIG 1 -4.417 -1.526 -0.172 0.00 0.00 +0.150 HD ATOM 40 C LIG 1 -6.082 -0.416 -0.545 0.00 0.00 +0.230 C ATOM 41 O LIG 1 -6.550 0.715 -0.665 0.00 0.00 -0.274 OA BRANCH 40 42 ATOM 42 C LIG 1 -6.773 -1.675 -1.113 0.00 0.00 +0.137 C ATOM 43 C LIG 1 -6.159 -2.008 -2.470 0.00 0.00 +0.034 C BRANCH 42 44 ATOM 44 N LIG 1 -8.224 -1.446 -1.286 0.00 0.00 -0.309 NA ATOM 45 H LIG 1 -8.334 -0.512 -1.696 0.00 0.00 +0.122 HD ATOM 46 C LIG 1 -8.928 -1.468 -0.009 0.00 0.00 +0.101 C ENDBRANCH 42 44 ENDBRANCH 40 42 ENDBRANCH 34 38 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 9