REMARK Name = BDB016729 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.996 0.016 -2.059 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -4.124 1.411 -2.198 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.986 2.211 -2.039 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.721 1.699 -1.776 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.872 2.847 -1.688 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -1.572 3.981 -1.840 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.586 0.303 -1.653 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.822 3.567 -2.087 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -3.531 4.268 -2.266 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.719 -0.511 -1.807 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.049 -1.154 2.423 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.535 -0.787 1.162 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.107 -1.760 0.351 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.701 -1.729 -1.030 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -5.192 -0.899 -2.193 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.157 -3.151 -1.265 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -5.825 -3.876 -0.134 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.027 -4.859 -0.038 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.711 -3.556 -2.272 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -6.508 -0.561 -1.518 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.208 -3.076 0.829 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -4.757 -3.467 2.070 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -4.170 -2.485 2.869 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.123 0.995 2.846 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.441 -0.311 3.315 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 0.538 2.882 -1.434 0.00 0.00 +0.031 C ATOM 27 C LIG 1 1.442 1.957 -1.799 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 2.880 2.063 -1.516 0.00 0.00 -0.025 A ATOM 29 C LIG 1 3.583 0.907 -1.147 0.00 0.00 +0.012 A ATOM 30 C LIG 1 4.963 0.952 -0.888 0.00 0.00 -0.033 A ATOM 31 C LIG 1 5.638 2.173 -1.016 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.951 3.324 -1.398 0.00 0.00 +0.001 A ATOM 33 C LIG 1 3.580 3.268 -1.652 0.00 0.00 +0.008 A BRANCH 30 34 ATOM 34 C LIG 1 5.714 -0.300 -0.484 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 6.325 -0.206 0.851 0.00 0.00 -0.294 NA ATOM 36 C LIG 1 5.300 -0.061 1.911 0.00 0.00 +0.113 C ATOM 37 C LIG 1 5.813 -0.549 3.274 0.00 0.00 +0.175 C ATOM 38 O LIG 1 6.112 -1.953 3.279 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 6.539 -2.441 2.000 0.00 0.00 +0.175 C ATOM 40 C LIG 1 7.204 -1.361 1.131 0.00 0.00 +0.113 C ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6