REMARK Name = BDB000334 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.814 -2.942 0.610 0.00 0.00 +0.133 C ATOM 2 N LIG 1 -0.605 -2.564 0.392 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -1.473 -3.532 -0.159 0.00 0.00 +0.234 C ATOM 4 O LIG 1 -2.643 -3.332 -0.492 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -0.810 -4.883 -0.447 0.00 0.00 +0.178 C ATOM 6 N LIG 1 -0.047 -5.372 0.701 0.00 0.00 -0.306 NA ATOM 7 H LIG 1 0.442 -6.233 0.460 0.00 0.00 +0.122 HD ATOM 8 C LIG 1 0.873 -4.370 1.236 0.00 0.00 +0.107 C ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -1.026 -1.203 0.366 0.00 0.00 +0.037 A ATOM 10 C LIG 1 -0.280 -0.211 -0.269 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -0.727 1.115 -0.281 0.00 0.00 +0.047 A ATOM 12 C LIG 1 -1.931 1.472 0.329 0.00 0.00 +0.121 A ATOM 13 C LIG 1 -2.682 0.484 0.958 0.00 0.00 +0.047 A ATOM 14 C LIG 1 -2.238 -0.844 0.965 0.00 0.00 +0.027 A BRANCH 12 15 ATOM 15 O LIG 1 -2.251 2.796 0.227 0.00 0.00 -0.492 OA BRANCH 15 16 ATOM 16 C LIG 1 -3.526 3.244 0.699 0.00 0.00 +0.231 C BRANCH 16 17 ATOM 17 C LIG 1 -4.619 2.950 -0.326 0.00 0.00 +0.069 C BRANCH 17 18 ATOM 18 C LIG 1 -5.953 3.603 0.020 0.00 0.00 +0.163 C BRANCH 18 19 ATOM 19 O LIG 1 -6.428 3.346 1.340 0.00 0.00 -0.375 OA BRANCH 19 20 ATOM 20 C LIG 1 -6.718 1.978 1.641 0.00 0.00 +0.198 C BRANCH 20 21 ATOM 21 C LIG 1 -7.805 1.372 0.787 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -7.584 0.203 0.035 0.00 0.00 +0.125 A ATOM 23 C LIG 1 -8.626 -0.326 -0.734 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -9.877 0.296 -0.758 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -10.099 1.450 -0.014 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -9.070 1.984 0.756 0.00 0.00 +0.009 A BRANCH 22 27 ATOM 27 O LIG 1 -6.330 -0.339 0.122 0.00 0.00 -0.495 OA ATOM 28 C LIG 1 -6.037 -1.471 -0.689 0.00 0.00 +0.277 C ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 2 9 BRANCH 1 29 ATOM 29 C LIG 1 1.631 -2.025 1.566 0.00 0.00 +0.253 C BRANCH 29 30 ATOM 30 O LIG 1 2.317 -0.976 0.881 0.00 0.00 -0.490 OA BRANCH 30 36 ATOM 31 N LIG 1 5.968 0.956 -1.593 0.00 0.00 -0.271 N ATOM 32 C LIG 1 5.350 -0.172 -0.959 0.00 0.00 +0.043 A ATOM 33 C LIG 1 6.021 -1.405 -0.958 0.00 0.00 -0.025 A ATOM 34 C LIG 1 5.459 -2.521 -0.322 0.00 0.00 +0.009 A ATOM 35 C LIG 1 4.217 -2.431 0.305 0.00 0.00 +0.046 A ATOM 36 C LIG 1 3.536 -1.220 0.313 0.00 0.00 +0.122 A ATOM 37 C LIG 1 7.395 -1.504 -1.553 0.00 0.00 +0.046 C ATOM 38 C LIG 1 7.492 -0.599 -2.758 0.00 0.00 +0.101 C ATOM 39 C LIG 1 4.107 -0.102 -0.313 0.00 0.00 +0.069 A ATOM 40 C LIG 1 7.102 0.812 -2.398 0.00 0.00 +0.220 C ATOM 41 O LIG 1 7.721 1.763 -2.879 0.00 0.00 -0.275 OA BRANCH 31 42 ATOM 42 C LIG 1 5.497 2.320 -1.361 0.00 0.00 +0.116 C BRANCH 42 43 ATOM 43 C LIG 1 6.321 3.121 -0.343 0.00 0.00 +0.047 C BRANCH 43 44 ATOM 44 C LIG 1 6.194 2.636 1.100 0.00 0.00 +0.161 C BRANCH 44 46 ATOM 45 C LIG 1 8.246 1.473 1.430 0.00 0.00 +0.193 C ATOM 46 O LIG 1 6.831 1.384 1.344 0.00 0.00 -0.383 OA ENDBRANCH 44 46 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 31 42 ENDBRANCH 30 36 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 16