REMARK Name = BDB045411 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.527 0.267 1.049 0.00 0.00 +0.050 C ATOM 2 C LIG 1 -2.377 1.499 1.433 0.00 0.00 +0.140 C ATOM 3 C LIG 1 -2.352 1.775 2.957 0.00 0.00 +0.113 C ATOM 4 N LIG 1 -2.228 0.598 3.833 0.00 0.00 -0.313 NA ATOM 5 H LIG 1 -2.780 0.756 4.676 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 -2.680 -0.619 3.174 0.00 0.00 +0.081 C ATOM 7 C LIG 1 -1.796 -0.945 1.972 0.00 0.00 +0.026 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 2.656 1.372 0.577 0.00 0.00 +0.121 A ATOM 9 C LIG 1 2.132 1.129 1.847 0.00 0.00 +0.046 A ATOM 10 C LIG 1 0.793 0.766 2.015 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.054 0.633 0.909 0.00 0.00 -0.042 A ATOM 12 C LIG 1 0.479 0.884 -0.365 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.821 1.247 -0.531 0.00 0.00 +0.046 A BRANCH 8 14 ATOM 14 O LIG 1 3.978 1.713 0.566 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 4.613 2.005 -0.679 0.00 0.00 +0.231 C BRANCH 15 16 ATOM 16 C LIG 1 5.115 0.736 -1.368 0.00 0.00 +0.069 C BRANCH 16 17 ATOM 17 C LIG 1 6.151 -0.008 -0.531 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 O LIG 1 7.325 0.799 -0.427 0.00 0.00 -0.375 OA BRANCH 18 19 ATOM 19 C LIG 1 8.329 0.203 0.398 0.00 0.00 +0.195 C BRANCH 19 23 ATOM 20 C LIG 1 10.541 -2.876 -1.662 0.00 0.00 +0.000 A ATOM 21 C LIG 1 10.328 -1.643 -2.275 0.00 0.00 +0.000 A ATOM 22 C LIG 1 9.608 -0.649 -1.610 0.00 0.00 +0.006 A ATOM 23 C LIG 1 9.090 -0.880 -0.328 0.00 0.00 -0.022 A ATOM 24 C LIG 1 9.318 -2.122 0.282 0.00 0.00 +0.006 A ATOM 25 C LIG 1 10.038 -3.115 -0.385 0.00 0.00 +0.000 A ENDBRANCH 19 23 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 O LIG 1 -3.750 1.272 1.054 0.00 0.00 -0.370 OA BRANCH 26 27 ATOM 27 C LIG 1 -4.037 1.690 -0.280 0.00 0.00 +0.195 C BRANCH 27 28 ATOM 28 C LIG 1 -5.399 1.186 -0.680 0.00 0.00 -0.020 A ATOM 29 C LIG 1 -5.749 -0.160 -0.482 0.00 0.00 +0.029 A ATOM 30 C LIG 1 -6.990 -0.663 -0.893 0.00 0.00 +0.031 A ATOM 31 N LIG 1 -7.316 -1.998 -0.603 0.00 0.00 -0.344 N ATOM 32 H LIG 1 -6.499 -2.602 -0.605 0.00 0.00 +0.146 HD ATOM 33 C LIG 1 -8.460 -2.547 -1.317 0.00 0.00 +0.102 C ATOM 34 C LIG 1 -9.643 -1.596 -1.223 0.00 0.00 +0.023 C ATOM 35 C LIG 1 -9.285 -0.270 -1.883 0.00 0.00 +0.038 C ATOM 36 C LIG 1 -7.926 0.221 -1.456 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -7.577 1.562 -1.674 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -6.322 2.038 -1.295 0.00 0.00 +0.006 A ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 11