REMARK Name = BDB004382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.418 0.951 -1.631 0.00 0.00 +0.089 C ATOM 2 C LIG 1 -0.132 -0.422 -1.005 0.00 0.00 +0.028 C ATOM 3 C LIG 1 1.383 -0.705 -0.955 0.00 0.00 +0.090 C ATOM 4 C LIG 1 1.994 -0.514 -2.352 0.00 0.00 +0.093 C ATOM 5 N LIG 1 1.722 0.819 -2.898 0.00 0.00 -0.315 NA ATOM 6 H LIG 1 2.158 1.532 -2.313 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 0.278 1.066 -2.993 0.00 0.00 +0.093 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 -2.583 1.324 -0.579 0.00 0.00 -0.310 N ATOM 9 H LIG 1 -2.087 1.115 0.277 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -1.918 1.181 -1.781 0.00 0.00 +0.218 C ATOM 11 O LIG 1 -2.481 1.254 -2.867 0.00 0.00 -0.275 OA BRANCH 8 12 ATOM 12 C LIG 1 -4.048 1.422 -0.507 0.00 0.00 +0.102 C BRANCH 12 13 ATOM 13 C LIG 1 -4.655 0.004 -0.287 0.00 0.00 +0.011 C ATOM 14 C LIG 1 -4.300 -0.611 1.082 0.00 0.00 +0.005 C ATOM 15 C LIG 1 -5.097 -1.886 1.332 0.00 0.00 +0.000 C ATOM 16 C LIG 1 -6.603 -1.624 1.369 0.00 0.00 +0.000 C ATOM 17 C LIG 1 -7.021 -0.346 0.645 0.00 0.00 +0.000 C ATOM 18 C LIG 1 -6.168 -0.076 -0.590 0.00 0.00 +0.005 C ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -4.438 2.502 0.527 0.00 0.00 +0.182 C BRANCH 19 20 ATOM 20 O LIG 1 -5.837 2.760 0.597 0.00 0.00 -0.378 OA BRANCH 20 22 ATOM 21 C LIG 1 -7.790 3.824 -0.263 0.00 0.00 +0.034 C ATOM 22 C LIG 1 -6.288 3.674 -0.401 0.00 0.00 +0.156 C ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 12 19 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 3 23 ATOM 23 C LIG 1 1.661 -2.138 -0.462 0.00 0.00 +0.225 C ATOM 24 N LIG 1 2.986 -2.513 -0.227 0.00 0.00 -0.253 N ATOM 25 O LIG 1 0.729 -2.946 -0.385 0.00 0.00 -0.275 OA BRANCH 24 26 ATOM 26 C LIG 1 4.024 -1.607 0.131 0.00 0.00 +0.131 A ATOM 27 N LIG 1 5.236 -1.778 -0.435 0.00 0.00 -0.239 NA ATOM 28 C LIG 1 6.217 -0.912 -0.098 0.00 0.00 +0.120 A ATOM 29 C LIG 1 6.077 0.129 0.815 0.00 0.00 +0.015 A ATOM 30 C LIG 1 4.829 0.248 1.441 0.00 0.00 +0.128 A ATOM 31 C LIG 1 3.800 -0.629 1.095 0.00 0.00 +0.090 A BRANCH 29 32 ATOM 32 C LIG 1 7.238 1.058 1.122 0.00 0.00 +0.018 C ATOM 33 C LIG 1 7.718 1.796 -0.133 0.00 0.00 +0.012 C ATOM 34 C LIG 1 8.396 0.303 1.783 0.00 0.00 +0.012 C ENDBRANCH 29 32 BRANCH 30 35 ATOM 35 O LIG 1 4.707 1.251 2.368 0.00 0.00 -0.495 OA ATOM 36 C LIG 1 3.541 1.261 3.183 0.00 0.00 +0.277 C ENDBRANCH 30 35 ENDBRANCH 24 26 BRANCH 24 37 ATOM 37 C LIG 1 3.395 -3.859 -0.586 0.00 0.00 +0.083 C ATOM 38 C LIG 1 2.763 -5.090 0.018 0.00 0.00 +0.025 C ATOM 39 C LIG 1 4.172 -4.734 0.372 0.00 0.00 +0.025 C ENDBRANCH 24 37 ENDBRANCH 3 23 TORSDOF 11