REMARK Name = BDB014477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.755 0.870 3.892 0.00 0.00 +0.251 C ATOM 2 N LIG 1 -1.931 1.835 3.350 0.00 0.00 -0.310 N ATOM 3 H LIG 1 -0.952 1.821 3.619 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -3.966 0.812 3.700 0.00 0.00 -0.272 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 -2.021 -0.123 4.799 0.00 0.00 +0.324 C BRANCH 5 6 ATOM 6 O LIG 1 -0.702 -0.439 4.363 0.00 0.00 -0.483 OA BRANCH 6 12 ATOM 7 N LIG 1 2.049 -2.084 0.698 0.00 0.00 -0.260 N ATOM 8 C LIG 1 0.936 -1.913 1.496 0.00 0.00 +0.073 A ATOM 9 C LIG 1 -0.071 -2.657 0.887 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -1.354 -2.678 1.458 0.00 0.00 +0.015 A ATOM 11 C LIG 1 -1.595 -1.937 2.624 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -0.576 -1.197 3.226 0.00 0.00 +0.123 A ATOM 13 C LIG 1 0.541 -3.226 -0.246 0.00 0.00 +0.143 A ATOM 14 C LIG 1 0.712 -1.185 2.674 0.00 0.00 +0.073 A ATOM 15 N LIG 1 1.819 -2.869 -0.375 0.00 0.00 -0.178 NA BRANCH 7 20 ATOM 16 C LIG 1 6.133 -0.119 -1.143 0.00 0.00 +0.104 C ATOM 17 N LIG 1 4.883 -0.762 -1.535 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 4.800 -2.160 -1.099 0.00 0.00 +0.086 C ATOM 19 C LIG 1 4.544 -2.331 0.401 0.00 0.00 +0.042 C ATOM 20 C LIG 1 3.367 -1.485 0.915 0.00 0.00 +0.110 C ATOM 21 C LIG 1 3.428 -0.050 0.377 0.00 0.00 +0.042 C ATOM 22 C LIG 1 3.695 -0.008 -1.128 0.00 0.00 +0.086 C ENDBRANCH 7 20 ENDBRANCH 6 12 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 2 23 ATOM 23 C LIG 1 -2.412 2.920 2.516 0.00 0.00 +0.136 C BRANCH 23 24 ATOM 24 C LIG 1 -1.618 3.049 1.210 0.00 0.00 +0.145 C BRANCH 24 25 ATOM 25 O LIG 1 -1.855 4.343 0.640 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -1.445 4.285 -0.246 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -1.993 1.956 0.185 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -1.266 2.226 -1.080 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -2.183 2.528 -2.199 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -2.860 1.330 -2.825 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -2.316 0.041 -2.695 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -2.946 -1.046 -3.316 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -4.094 -0.852 -4.083 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.624 0.427 -4.231 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -1.099 -0.186 -1.837 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -4.010 1.514 -3.608 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -0.376 1.117 -1.465 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 9