REMARK Name = BDB039402 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.738 -0.018 0.869 0.00 0.00 +0.001 A ATOM 2 C LIG 1 1.772 -0.393 -0.018 0.00 0.00 +0.016 A ATOM 3 C LIG 1 2.990 0.264 0.035 0.00 0.00 -0.017 A ATOM 4 C LIG 1 4.222 0.051 -0.782 0.00 0.00 +0.144 C ATOM 5 N LIG 1 5.125 1.069 -0.257 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.568 1.777 0.796 0.00 0.00 +0.248 C ATOM 7 O LIG 1 5.097 2.619 1.494 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.196 1.285 0.957 0.00 0.00 +0.042 A ATOM 9 C LIG 1 2.226 1.683 1.853 0.00 0.00 +0.014 A ATOM 10 C LIG 1 0.994 1.022 1.803 0.00 0.00 +0.011 A ENDROOT BRANCH 1 19 ATOM 11 C LIG 1 -3.010 -0.704 0.956 0.00 0.00 -0.021 A ATOM 12 C LIG 1 -2.945 -2.088 0.699 0.00 0.00 +0.023 A ATOM 13 C LIG 1 -3.898 -3.136 0.550 0.00 0.00 +0.029 A ATOM 14 C LIG 1 -3.208 -4.304 0.305 0.00 0.00 +0.088 A ATOM 15 N LIG 1 -1.871 -4.002 0.293 0.00 0.00 -0.335 N ATOM 16 C LIG 1 -0.798 -4.940 0.067 0.00 0.00 +0.150 C ATOM 17 C LIG 1 -1.690 -2.662 0.527 0.00 0.00 +0.141 A ATOM 18 N LIG 1 -0.496 -2.042 0.574 0.00 0.00 -0.229 NA ATOM 19 C LIG 1 -0.569 -0.712 0.821 0.00 0.00 +0.074 A ATOM 20 C LIG 1 -1.776 -0.028 1.007 0.00 0.00 +0.034 A BRANCH 11 21 ATOM 21 C LIG 1 -4.303 0.052 1.156 0.00 0.00 +0.120 C BRANCH 21 24 ATOM 22 C LIG 1 -6.761 1.484 -1.202 0.00 0.00 +0.133 C ATOM 23 C LIG 1 -6.359 0.854 0.142 0.00 0.00 +0.116 C ATOM 24 N LIG 1 -5.034 0.267 -0.094 0.00 0.00 -0.296 NA ATOM 25 C LIG 1 -4.376 1.207 -1.004 0.00 0.00 +0.087 C ATOM 26 C LIG 1 -5.470 1.501 -2.018 0.00 0.00 +0.048 C BRANCH 22 28 ATOM 27 C LIG 1 -8.552 2.899 -0.557 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -7.218 2.830 -1.044 0.00 0.00 -0.378 OA ENDBRANCH 22 28 ENDBRANCH 21 24 ENDBRANCH 11 21 ENDBRANCH 1 19 BRANCH 5 29 ATOM 29 C LIG 1 6.547 1.143 -0.580 0.00 0.00 +0.163 C ATOM 30 C LIG 1 6.891 0.886 -2.056 0.00 0.00 +0.240 C ATOM 31 O LIG 1 6.085 0.966 -2.981 0.00 0.00 -0.273 OA ATOM 32 N LIG 1 8.208 0.584 -2.319 0.00 0.00 -0.255 N ATOM 33 H LIG 1 8.429 0.413 -3.291 0.00 0.00 +0.158 HD ATOM 34 C LIG 1 9.165 0.187 -1.420 0.00 0.00 +0.219 C ATOM 35 O LIG 1 10.238 -0.272 -1.801 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 8.840 0.380 0.040 0.00 0.00 +0.098 C ATOM 37 C LIG 1 7.355 0.190 0.303 0.00 0.00 +0.041 C ENDBRANCH 5 29 TORSDOF 5