REMARK Name = BDB031724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.739 -2.421 -1.246 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.931 -3.265 -0.460 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.591 -2.913 -0.258 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.010 -1.777 -0.804 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.347 -1.794 -0.348 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -0.586 -2.878 0.395 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.806 -0.939 -1.607 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.589 -3.516 0.447 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.640 -4.374 0.984 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.151 -1.280 -1.819 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.445 1.112 1.302 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.316 -0.178 0.766 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.172 -0.586 -0.247 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.320 -1.863 -1.025 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.191 -2.750 -1.508 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.502 -1.603 -1.932 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.925 -0.309 -1.687 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.710 0.107 -2.165 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.973 -2.401 -2.724 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.103 -3.204 -0.385 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.158 0.305 -0.695 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.316 1.578 -0.192 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.440 1.982 0.821 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.606 2.700 2.866 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.543 1.401 2.291 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.228 -0.830 -0.703 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -0.895 -0.050 -1.255 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.474 -0.490 -0.116 0.00 0.00 +0.172 A ATOM 29 C LIG 1 -3.306 0.377 -0.821 0.00 0.00 +0.200 A ATOM 30 C LIG 1 -4.524 0.730 -0.242 0.00 0.00 +0.169 A ATOM 31 N LIG 1 -4.905 0.164 0.916 0.00 0.00 -0.213 NA ATOM 32 C LIG 1 -4.070 -0.697 1.535 0.00 0.00 +0.137 A ATOM 33 N LIG 1 -2.860 -1.019 1.054 0.00 0.00 -0.213 NA BRANCH 30 34 ATOM 34 N LIG 1 -5.398 1.641 -0.850 0.00 0.00 -0.308 N ATOM 35 C LIG 1 -4.821 2.938 -1.262 0.00 0.00 +0.134 C ATOM 36 C LIG 1 -5.610 4.115 -0.661 0.00 0.00 +0.178 C ATOM 37 O LIG 1 -7.006 4.098 -0.990 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -7.565 2.774 -1.021 0.00 0.00 +0.178 C ATOM 39 C LIG 1 -6.741 1.730 -0.251 0.00 0.00 +0.134 C ENDBRANCH 30 34 BRANCH 32 40 ATOM 40 C LIG 1 -4.492 -1.331 2.844 0.00 0.00 +0.057 C ATOM 41 C LIG 1 -5.950 -1.463 3.222 0.00 0.00 +0.012 C ATOM 42 C LIG 1 -5.077 -0.481 3.950 0.00 0.00 +0.012 C ENDBRANCH 32 40 BRANCH 29 43 ATOM 43 O LIG 1 -2.881 0.869 -2.035 0.00 0.00 -0.489 OA ATOM 44 C LIG 1 -3.508 0.134 -3.091 0.00 0.00 +0.277 C ENDBRANCH 29 43 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 7