REMARK Name = BDB043055 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.359 0.412 -1.185 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.658 -0.967 -0.975 0.00 0.00 -0.200 N ATOM 3 C LIG 1 -1.301 -1.386 0.204 0.00 0.00 +0.163 A ATOM 4 C LIG 1 -1.465 -2.744 0.079 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -0.893 -3.094 -1.143 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -1.663 -0.522 1.196 0.00 0.00 -0.213 NA ATOM 7 C LIG 1 -1.415 0.749 1.002 0.00 0.00 +0.124 A ATOM 8 N LIG 1 -0.406 -2.038 -1.793 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 -0.728 1.277 -0.219 0.00 0.00 +0.087 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.127 -3.696 1.094 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -3.522 -3.405 1.582 0.00 0.00 +0.009 C ATOM 12 C LIG 1 -3.285 -4.552 0.647 0.00 0.00 +0.009 C ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 N LIG 1 0.279 0.878 -2.345 0.00 0.00 -0.323 N ATOM 14 H LIG 1 0.640 1.823 -2.258 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 1.055 0.095 -3.309 0.00 0.00 +0.160 C BRANCH 15 20 ATOM 16 C LIG 1 5.370 -1.043 -0.977 0.00 0.00 +0.201 A ATOM 17 N LIG 1 4.354 -0.744 -1.909 0.00 0.00 -0.270 N ATOM 18 C LIG 1 4.561 -0.616 -3.277 0.00 0.00 +0.141 A ATOM 19 N LIG 1 3.452 -0.305 -3.913 0.00 0.00 -0.231 NA ATOM 20 C LIG 1 2.471 -0.241 -2.941 0.00 0.00 +0.077 A ATOM 21 C LIG 1 5.882 -0.817 -3.758 0.00 0.00 +0.047 A ATOM 22 C LIG 1 6.867 -1.112 -2.891 0.00 0.00 +0.009 A ATOM 23 C LIG 1 3.015 -0.511 -1.700 0.00 0.00 +0.121 A ATOM 24 C LIG 1 6.617 -1.226 -1.462 0.00 0.00 +0.066 A BRANCH 16 25 ATOM 25 O LIG 1 4.994 -1.104 0.347 0.00 0.00 -0.474 OA BRANCH 25 27 ATOM 26 C LIG 1 5.187 -1.949 2.558 0.00 0.00 +0.051 C ATOM 27 C LIG 1 5.957 -1.381 1.370 0.00 0.00 +0.169 C ATOM 28 C LIG 1 6.671 -0.096 1.778 0.00 0.00 +0.051 C ENDBRANCH 25 27 ENDBRANCH 16 25 ENDBRANCH 15 20 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 29 ATOM 29 N LIG 1 -1.839 1.581 2.010 0.00 0.00 -0.329 N ATOM 30 H LIG 1 -2.287 1.029 2.736 0.00 0.00 +0.147 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.504 2.856 1.776 0.00 0.00 +0.109 C BRANCH 31 32 ATOM 32 C LIG 1 -3.818 2.691 0.994 0.00 0.00 +0.037 C ATOM 33 C LIG 1 -4.417 4.079 0.683 0.00 0.00 +0.133 C ATOM 34 C LIG 1 -5.953 4.043 0.525 0.00 0.00 +0.112 C ATOM 35 N LIG 1 -6.429 2.768 -0.020 0.00 0.00 -0.314 NA ATOM 36 H LIG 1 -5.997 2.598 -0.928 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 -6.115 1.647 0.875 0.00 0.00 +0.081 C ATOM 38 C LIG 1 -4.859 1.843 1.734 0.00 0.00 +0.023 C BRANCH 33 39 ATOM 39 O LIG 1 -3.795 4.582 -0.501 0.00 0.00 -0.390 OA ATOM 40 H LIG 1 -4.200 4.132 -1.265 0.00 0.00 +0.210 HD ENDBRANCH 33 39 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 7 29 TORSDOF 10