REMARK Name = BDB011370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.062 -0.954 -0.664 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.097 0.055 -0.740 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.095 -0.510 -0.391 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.497 -0.053 -0.215 0.00 0.00 +0.154 C ATOM 5 N LIG 1 -2.117 -1.355 0.173 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -1.197 -2.427 0.179 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -1.418 -3.612 0.359 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.070 -1.840 -0.146 0.00 0.00 +0.060 A ATOM 9 C LIG 1 1.417 -2.145 -0.317 0.00 0.00 +0.041 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 6.145 -0.564 -1.415 0.00 0.00 +0.321 A ATOM 11 N LIG 1 5.727 -0.227 -0.186 0.00 0.00 -0.159 NA ATOM 12 C LIG 1 4.405 -0.363 0.044 0.00 0.00 +0.230 A ATOM 13 C LIG 1 3.493 -0.790 -0.908 0.00 0.00 +0.078 A ATOM 14 C LIG 1 4.053 -1.127 -2.123 0.00 0.00 +0.131 A ATOM 15 N LIG 1 5.365 -1.012 -2.408 0.00 0.00 -0.202 NA BRANCH 10 17 ATOM 16 C LIG 1 8.288 -0.033 -0.653 0.00 0.00 +0.280 C ATOM 17 O LIG 1 7.478 -0.450 -1.743 0.00 0.00 -0.466 OA ENDBRANCH 10 17 BRANCH 12 18 ATOM 18 O LIG 1 3.913 -0.050 1.300 0.00 0.00 -0.479 OA ATOM 19 C LIG 1 4.922 0.309 2.237 0.00 0.00 +0.279 C ENDBRANCH 12 18 ENDBRANCH 1 13 BRANCH 5 20 ATOM 20 C LIG 1 -3.551 -1.639 0.057 0.00 0.00 +0.078 C ATOM 21 C LIG 1 -3.913 -2.041 -1.389 0.00 0.00 +0.025 C ATOM 22 C LIG 1 -5.380 -1.784 -1.753 0.00 0.00 +0.033 C ATOM 23 C LIG 1 -6.308 -1.913 -0.550 0.00 0.00 +0.115 C ATOM 24 C LIG 1 -5.943 -0.918 0.556 0.00 0.00 +0.033 C ATOM 25 C LIG 1 -4.462 -0.517 0.560 0.00 0.00 +0.025 C BRANCH 23 26 ATOM 26 O LIG 1 -6.210 -3.231 -0.018 0.00 0.00 -0.392 OA ATOM 27 H LIG 1 -6.459 -3.858 -0.720 0.00 0.00 +0.210 HD ENDBRANCH 23 26 ENDBRANCH 5 20 BRANCH 4 28 ATOM 28 C LIG 1 -1.641 1.017 0.850 0.00 0.00 -0.021 A ATOM 29 C LIG 1 -1.298 0.772 2.191 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -1.419 1.774 3.157 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -1.885 3.040 2.797 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -2.229 3.299 1.467 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -2.107 2.296 0.501 0.00 0.00 +0.007 A BRANCH 31 34 ATOM 34 C LIG 1 -2.008 4.071 3.786 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -2.107 4.912 4.579 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 4 28 BRANCH 2 36 ATOM 36 C LIG 1 1.254 1.456 -1.132 0.00 0.00 +0.081 C ATOM 37 C LIG 1 1.916 1.650 -2.497 0.00 0.00 +0.030 C ATOM 38 C LIG 1 1.918 2.306 -0.052 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 8