REMARK Name = BDB019596 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.316 -0.007 -1.238 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.500 1.219 -0.587 0.00 0.00 +0.021 A ATOM 3 C LIG 1 1.743 1.552 -0.027 0.00 0.00 -0.015 A ATOM 4 C LIG 1 2.804 0.640 -0.150 0.00 0.00 +0.013 A ATOM 5 C LIG 1 2.642 -0.585 -0.819 0.00 0.00 -0.029 A ATOM 6 C LIG 1 1.389 -0.898 -1.361 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 1.934 2.830 0.666 0.00 0.00 +0.003 A ATOM 8 C LIG 1 1.459 3.076 1.969 0.00 0.00 -0.040 A ATOM 9 C LIG 1 0.714 2.031 2.754 0.00 0.00 +0.044 C ATOM 10 C LIG 1 1.677 4.337 2.541 0.00 0.00 +0.023 A ATOM 11 C LIG 1 2.364 5.296 1.815 0.00 0.00 +0.111 A ATOM 12 N LIG 1 2.841 5.095 0.572 0.00 0.00 -0.263 NA ATOM 13 C LIG 1 2.614 3.874 0.032 0.00 0.00 +0.119 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 -2.106 0.165 -1.258 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -2.054 0.640 -0.365 0.00 0.00 +0.150 HD ATOM 16 C LIG 1 -0.994 -0.391 -1.834 0.00 0.00 +0.245 C ATOM 17 O LIG 1 -1.034 -1.180 -2.771 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 -3.459 -0.188 -1.651 0.00 0.00 +0.125 C BRANCH 18 22 ATOM 19 C LIG 1 -7.389 -2.269 0.746 0.00 0.00 +0.044 C ATOM 20 C LIG 1 -6.217 -1.337 0.725 0.00 0.00 -0.047 A ATOM 21 C LIG 1 -5.428 -1.209 -0.422 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -4.322 -0.358 -0.398 0.00 0.00 +0.062 A ATOM 23 N LIG 1 -3.973 0.357 0.711 0.00 0.00 -0.258 NA ATOM 24 C LIG 1 -4.744 0.205 1.808 0.00 0.00 +0.111 A ATOM 25 C LIG 1 -5.855 -0.621 1.865 0.00 0.00 +0.023 A ENDBRANCH 18 22 BRANCH 18 26 ATOM 26 C LIG 1 -4.082 0.867 -2.543 0.00 0.00 +0.015 C ATOM 27 C LIG 1 -3.846 2.348 -2.344 0.00 0.00 +0.006 C ATOM 28 C LIG 1 -3.285 1.657 -3.557 0.00 0.00 +0.006 C ENDBRANCH 18 26 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 3.797 -1.550 -0.936 0.00 0.00 +0.139 C BRANCH 29 30 ATOM 30 N LIG 1 4.122 -2.074 0.376 0.00 0.00 -0.313 N ATOM 31 H LIG 1 3.293 -2.368 0.885 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 5.105 -2.979 0.559 0.00 0.00 +0.176 C ATOM 33 N LIG 1 6.266 -2.804 -0.122 0.00 0.00 -0.316 N ATOM 34 H LIG 1 6.562 -1.837 -0.161 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 7.234 -3.712 0.461 0.00 0.00 +0.127 C ATOM 36 C LIG 1 6.326 -4.677 1.229 0.00 0.00 +0.163 C ATOM 37 N LIG 1 5.015 -3.986 1.378 0.00 0.00 -0.255 NA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 8