REMARK Name = BDB039434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.731 -1.420 0.102 0.00 0.00 +0.001 A ATOM 2 C LIG 1 1.762 -0.822 0.862 0.00 0.00 +0.016 A ATOM 3 C LIG 1 3.045 -0.758 0.344 0.00 0.00 -0.017 A ATOM 4 C LIG 1 4.292 -0.213 0.951 0.00 0.00 +0.144 C ATOM 5 N LIG 1 5.263 -0.332 -0.137 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.745 -1.084 -1.187 0.00 0.00 +0.248 C ATOM 7 O LIG 1 5.324 -1.520 -2.163 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.320 -1.287 -0.910 0.00 0.00 +0.042 A ATOM 9 C LIG 1 2.357 -1.896 -1.688 0.00 0.00 +0.014 A ATOM 10 C LIG 1 1.058 -1.958 -1.171 0.00 0.00 +0.011 A ENDROOT BRANCH 1 17 ATOM 11 C LIG 1 -1.337 -2.208 4.826 0.00 0.00 +0.150 C ATOM 12 N LIG 1 -2.301 -1.996 3.773 0.00 0.00 -0.335 N ATOM 13 C LIG 1 -1.974 -1.774 2.459 0.00 0.00 +0.141 A ATOM 14 C LIG 1 -3.159 -1.619 1.747 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.071 -1.380 0.361 0.00 0.00 -0.021 A ATOM 16 C LIG 1 -1.769 -1.313 -0.171 0.00 0.00 +0.034 A ATOM 17 C LIG 1 -0.645 -1.489 0.644 0.00 0.00 +0.074 A ATOM 18 C LIG 1 -4.221 -1.745 2.688 0.00 0.00 +0.029 A ATOM 19 N LIG 1 -0.719 -1.719 1.976 0.00 0.00 -0.229 NA ATOM 20 C LIG 1 -3.663 -1.981 3.927 0.00 0.00 +0.088 A BRANCH 15 21 ATOM 21 C LIG 1 -4.274 -1.185 -0.533 0.00 0.00 +0.120 C BRANCH 21 22 ATOM 22 N LIG 1 -4.839 0.162 -0.405 0.00 0.00 -0.297 NA ATOM 23 C LIG 1 -5.990 0.334 -1.338 0.00 0.00 +0.093 C ATOM 24 C LIG 1 -5.373 1.651 -1.737 0.00 0.00 -0.004 C ATOM 25 C LIG 1 -5.494 2.133 -3.157 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -6.559 3.131 -2.632 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -5.979 2.930 -1.208 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -4.061 1.161 -1.195 0.00 0.00 +0.093 C ENDBRANCH 21 22 ENDBRANCH 15 21 ENDBRANCH 1 17 BRANCH 5 29 ATOM 29 C LIG 1 6.705 -0.142 0.066 0.00 0.00 +0.163 C ATOM 30 C LIG 1 7.008 0.695 1.319 0.00 0.00 +0.240 C ATOM 31 O LIG 1 6.900 0.248 2.460 0.00 0.00 -0.273 OA ATOM 32 N LIG 1 7.256 2.033 1.125 0.00 0.00 -0.255 N ATOM 33 H LIG 1 7.356 2.589 1.964 0.00 0.00 +0.158 HD ATOM 34 C LIG 1 7.130 2.743 -0.042 0.00 0.00 +0.219 C ATOM 35 O LIG 1 7.126 3.971 -0.033 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 6.931 1.944 -1.306 0.00 0.00 +0.098 C ATOM 37 C LIG 1 7.411 0.512 -1.129 0.00 0.00 +0.041 C ENDBRANCH 5 29 TORSDOF 4