REMARK Name = BDB031775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.752 -0.731 -2.566 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.832 -1.772 -2.791 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.482 -1.552 -2.491 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.998 -0.351 -1.991 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.408 -0.557 -1.820 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -0.763 -1.780 -2.224 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.909 0.701 -1.782 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.384 -2.358 -2.596 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.349 -3.316 -2.924 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.265 0.494 -2.079 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.149 -0.666 1.899 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.074 -1.050 0.552 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.054 -0.626 -0.334 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.288 -0.848 -1.802 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.221 -0.904 -2.877 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.586 -0.124 -2.079 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.992 0.452 -0.888 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.841 0.989 -0.806 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.148 -0.071 -3.159 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.964 -2.158 -2.461 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.106 0.164 0.151 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.213 0.558 1.468 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.214 0.135 2.349 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.135 -0.783 4.051 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.125 -1.140 2.675 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.228 0.421 -1.361 0.00 0.00 -0.282 N ATOM 27 H LIG 1 -0.795 1.287 -1.074 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.477 0.267 -0.713 0.00 0.00 +0.129 A ATOM 29 N LIG 1 -2.830 -0.898 -0.157 0.00 0.00 -0.217 NA ATOM 30 C LIG 1 -4.044 -0.973 0.402 0.00 0.00 +0.136 A ATOM 31 N LIG 1 -4.917 0.048 0.473 0.00 0.00 -0.217 NA ATOM 32 C LIG 1 -4.557 1.224 -0.061 0.00 0.00 +0.127 A ATOM 33 C LIG 1 -3.329 1.358 -0.685 0.00 0.00 +0.087 A BRANCH 32 34 ATOM 34 N LIG 1 -5.459 2.284 -0.019 0.00 0.00 -0.311 N ATOM 35 C LIG 1 -6.794 1.974 0.522 0.00 0.00 +0.134 C ATOM 36 C LIG 1 -7.676 3.230 0.448 0.00 0.00 +0.178 C ATOM 37 O LIG 1 -7.167 4.346 1.196 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -5.756 4.269 1.439 0.00 0.00 +0.178 C ATOM 39 C LIG 1 -4.963 3.639 0.280 0.00 0.00 +0.134 C ENDBRANCH 32 34 BRANCH 30 40 ATOM 40 C LIG 1 -4.450 -2.303 0.996 0.00 0.00 +0.051 C ATOM 41 C LIG 1 -4.696 -2.176 2.499 0.00 0.00 +0.015 C ATOM 42 C LIG 1 -5.679 -2.865 0.282 0.00 0.00 +0.015 C ENDBRANCH 30 40 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6