REMARK Name = BDB000035 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.590 1.042 -1.135 0.00 0.00 +0.044 A ATOM 2 C LIG 1 1.872 0.557 -0.923 0.00 0.00 +0.071 A ATOM 3 C LIG 1 2.349 -0.464 0.006 0.00 0.00 +0.256 C ATOM 4 N LIG 1 3.700 -0.581 -0.184 0.00 0.00 -0.222 N ATOM 5 C LIG 1 4.146 0.310 -1.119 0.00 0.00 +0.255 C ATOM 6 O LIG 1 5.284 0.527 -1.485 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 1.623 -1.071 0.773 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 2.974 1.026 -1.616 0.00 0.00 +0.051 A ATOM 9 C LIG 1 2.871 2.004 -2.583 0.00 0.00 +0.014 A ATOM 10 C LIG 1 1.592 2.495 -2.851 0.00 0.00 +0.003 A ATOM 11 C LIG 1 0.468 2.012 -2.144 0.00 0.00 +0.024 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 4.548 -1.426 0.645 0.00 0.00 +0.171 C ATOM 13 C LIG 1 5.291 -0.541 1.651 0.00 0.00 +0.240 C ATOM 14 O LIG 1 4.774 0.426 2.206 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 6.582 -0.901 1.932 0.00 0.00 -0.255 N ATOM 16 H LIG 1 7.031 -0.344 2.648 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 7.465 -1.369 0.997 0.00 0.00 +0.219 C ATOM 18 O LIG 1 8.676 -1.278 1.179 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 6.883 -1.897 -0.290 0.00 0.00 +0.098 C ATOM 20 C LIG 1 5.455 -2.389 -0.122 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 -0.516 0.508 -0.449 0.00 0.00 -0.314 N ATOM 22 H LIG 1 -0.224 -0.135 0.297 0.00 0.00 +0.152 HD BRANCH 21 28 ATOM 23 C LIG 1 -6.463 2.859 1.480 0.00 0.00 +0.173 C ATOM 24 N LIG 1 -5.097 3.199 1.163 0.00 0.00 -0.267 N ATOM 25 C LIG 1 -4.111 2.332 0.756 0.00 0.00 +0.069 A ATOM 26 C LIG 1 -2.982 3.120 0.583 0.00 0.00 +0.021 A ATOM 27 C LIG 1 -1.782 2.518 0.170 0.00 0.00 +0.035 A ATOM 28 C LIG 1 -1.737 1.133 -0.083 0.00 0.00 +0.036 A ATOM 29 C LIG 1 -2.896 0.342 0.108 0.00 0.00 -0.021 A ATOM 30 C LIG 1 -3.402 4.425 0.918 0.00 0.00 +0.143 A ATOM 31 C LIG 1 -4.099 0.949 0.537 0.00 0.00 +0.033 A ATOM 32 N LIG 1 -4.689 4.480 1.268 0.00 0.00 -0.179 NA BRANCH 29 33 ATOM 33 C LIG 1 -2.876 -1.166 -0.140 0.00 0.00 +0.025 C ATOM 34 C LIG 1 -3.033 -1.959 1.166 0.00 0.00 +0.036 C ATOM 35 C LIG 1 -3.054 -3.454 0.875 0.00 0.00 +0.160 C ATOM 36 O LIG 1 -4.085 -3.773 -0.059 0.00 0.00 -0.380 OA ATOM 37 C LIG 1 -3.888 -3.135 -1.320 0.00 0.00 +0.160 C ATOM 38 C LIG 1 -3.928 -1.620 -1.166 0.00 0.00 +0.036 C ENDBRANCH 29 33 ENDBRANCH 21 28 ENDBRANCH 1 21 TORSDOF 4