REMARK Name = BDB039473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.073 0.870 -1.803 0.00 0.00 -0.332 N ATOM 2 C LIG 1 -3.108 0.545 -0.883 0.00 0.00 +0.142 A ATOM 3 C LIG 1 -3.679 -0.317 0.049 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -2.868 -0.773 1.107 0.00 0.00 -0.021 A ATOM 5 C LIG 1 -1.538 -0.306 1.112 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -1.067 0.550 0.114 0.00 0.00 +0.074 A ATOM 7 C LIG 1 -5.030 -0.517 -0.354 0.00 0.00 +0.029 A ATOM 8 N LIG 1 -1.842 1.003 -0.899 0.00 0.00 -0.229 NA ATOM 9 C LIG 1 -5.244 0.221 -1.498 0.00 0.00 +0.088 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 0.332 1.039 0.093 0.00 0.00 +0.001 A ATOM 11 C LIG 1 1.407 0.227 0.520 0.00 0.00 +0.016 A ATOM 12 C LIG 1 2.698 0.732 0.483 0.00 0.00 -0.017 A ATOM 13 C LIG 1 3.981 0.086 0.890 0.00 0.00 +0.144 C ATOM 14 N LIG 1 4.968 1.107 0.554 0.00 0.00 -0.282 N ATOM 15 C LIG 1 4.379 2.277 0.099 0.00 0.00 +0.248 C ATOM 16 O LIG 1 4.924 3.323 -0.197 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 2.936 2.024 0.028 0.00 0.00 +0.042 A ATOM 18 C LIG 1 1.927 2.856 -0.406 0.00 0.00 +0.014 A ATOM 19 C LIG 1 0.623 2.350 -0.373 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 6.400 0.998 0.835 0.00 0.00 +0.163 C ATOM 21 C LIG 1 6.768 -0.247 1.655 0.00 0.00 +0.240 C ATOM 22 O LIG 1 6.452 -0.385 2.836 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 7.342 -1.291 0.968 0.00 0.00 -0.255 N ATOM 24 H LIG 1 7.495 -2.134 1.506 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 7.392 -1.453 -0.394 0.00 0.00 +0.219 C ATOM 26 O LIG 1 7.616 -2.554 -0.889 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 7.078 -0.241 -1.236 0.00 0.00 +0.098 C ATOM 28 C LIG 1 7.248 1.043 -0.440 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 6 10 BRANCH 1 29 ATOM 29 C LIG 1 -3.879 1.740 -2.950 0.00 0.00 +0.126 C BRANCH 29 31 ATOM 30 C LIG 1 -3.608 3.935 -1.689 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -4.413 3.167 -2.740 0.00 0.00 +0.003 C ATOM 32 C LIG 1 -4.390 3.929 -4.067 0.00 0.00 +0.009 C ENDBRANCH 29 31 ENDBRANCH 1 29 BRANCH 4 33 ATOM 33 C LIG 1 -3.341 -1.703 2.200 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -2.590 -2.962 2.235 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -2.961 -3.784 3.388 0.00 0.00 +0.085 C ATOM 36 C LIG 1 -2.360 -5.136 3.040 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -2.363 -5.186 1.517 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -2.848 -3.814 1.070 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 6