REMARK Name = BDB031888 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.003 2.741 -0.122 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.359 1.987 -1.121 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.080 1.482 -0.862 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.400 1.702 0.327 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.851 1.022 0.176 0.00 0.00 +0.152 A ATOM 6 N LIG 1 0.931 0.427 -1.020 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -1.027 2.475 1.322 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.235 0.719 -1.615 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.399 0.361 -2.548 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.313 2.983 1.078 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.174 -1.400 -0.042 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.934 -0.039 0.196 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.603 0.915 -0.556 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.596 2.418 -0.565 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.385 3.305 -0.361 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.617 2.782 -1.619 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.101 1.596 -2.143 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.806 1.568 -2.863 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.934 3.916 -1.933 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.460 3.211 0.703 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.520 0.486 -1.527 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.784 -0.841 -1.787 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.094 -1.794 -1.031 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.649 -3.641 0.570 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.451 -2.246 0.756 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 1.780 1.024 1.162 0.00 0.00 -0.293 N ATOM 27 H LIG 1 1.558 1.513 2.027 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 3.069 0.451 1.264 0.00 0.00 +0.097 A ATOM 29 C LIG 1 3.803 0.605 2.451 0.00 0.00 +0.237 A ATOM 30 N LIG 1 5.037 0.104 2.663 0.00 0.00 -0.218 NA ATOM 31 C LIG 1 5.587 -0.596 1.637 0.00 0.00 +0.138 A ATOM 32 C LIG 1 4.970 -0.825 0.407 0.00 0.00 +0.058 A ATOM 33 C LIG 1 3.687 -0.279 0.244 0.00 0.00 +0.053 A BRANCH 32 34 ATOM 34 N LIG 1 5.582 -1.567 -0.637 0.00 0.00 -0.252 N ATOM 35 C LIG 1 6.901 -2.071 -0.650 0.00 0.00 +0.309 C ATOM 36 O LIG 1 7.739 -2.023 0.235 0.00 0.00 -0.252 OA ATOM 37 N LIG 1 7.103 -2.676 -1.900 0.00 0.00 -0.287 N ATOM 38 C LIG 1 8.231 -3.532 -2.175 0.00 0.00 +0.133 C ATOM 39 C LIG 1 5.851 -2.822 -2.597 0.00 0.00 +0.128 C ATOM 40 C LIG 1 4.944 -1.812 -1.914 0.00 0.00 +0.134 C ENDBRANCH 32 34 BRANCH 29 41 ATOM 41 O LIG 1 3.182 1.333 3.459 0.00 0.00 -0.478 OA ATOM 42 C LIG 1 3.987 1.453 4.628 0.00 0.00 +0.279 C ENDBRANCH 29 41 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6