REMARK Name = BDB004898 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.027 0.283 -1.264 0.00 0.00 -0.322 N ATOM 2 H LIG 1 -0.402 1.200 -1.167 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 3.742 1.877 1.402 0.00 0.00 +0.063 A ATOM 4 C LIG 1 2.775 0.886 1.130 0.00 0.00 +0.088 A ATOM 5 C LIG 1 1.904 1.102 0.043 0.00 0.00 +0.041 A ATOM 6 C LIG 1 0.931 0.107 -0.204 0.00 0.00 +0.130 A ATOM 7 N LIG 1 0.873 -1.016 0.522 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 1.741 -1.133 1.524 0.00 0.00 +0.223 A ATOM 9 C LIG 1 2.037 2.272 -0.749 0.00 0.00 +0.013 A ATOM 10 C LIG 1 2.998 3.233 -0.467 0.00 0.00 +0.002 A ATOM 11 N LIG 1 2.674 -0.241 1.869 0.00 0.00 -0.235 NA ATOM 12 C LIG 1 3.846 3.037 0.610 0.00 0.00 +0.015 A BRANCH 3 16 ATOM 13 N LIG 1 4.658 0.701 3.359 0.00 0.00 -0.325 N ATOM 14 H LIG 1 5.332 0.616 4.106 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 3.984 -0.042 3.196 0.00 0.00 +0.145 HD ATOM 16 C LIG 1 4.723 1.780 2.530 0.00 0.00 +0.244 C ATOM 17 O LIG 1 5.572 2.646 2.719 0.00 0.00 -0.270 OA ENDBRANCH 3 16 ENDBRANCH 1 6 BRANCH 1 18 ATOM 18 C LIG 1 -1.004 -0.718 -1.592 0.00 0.00 +0.104 C BRANCH 18 19 ATOM 19 C LIG 1 -2.131 -0.702 -0.563 0.00 0.00 -0.025 A ATOM 20 C LIG 1 -3.116 0.301 -0.644 0.00 0.00 +0.038 A ATOM 21 C LIG 1 -4.159 0.349 0.293 0.00 0.00 +0.127 A ATOM 22 C LIG 1 -4.239 -0.594 1.322 0.00 0.00 +0.033 A ATOM 23 C LIG 1 -3.264 -1.585 1.413 0.00 0.00 +0.003 A ATOM 24 C LIG 1 -2.221 -1.635 0.482 0.00 0.00 +0.005 A BRANCH 21 25 ATOM 25 N LIG 1 -5.174 1.405 0.195 0.00 0.00 +0.056 N ATOM 26 O LIG 1 -6.145 1.347 0.963 0.00 0.00 -0.126 OA ATOM 27 O LIG 1 -4.997 2.297 -0.648 0.00 0.00 -0.126 OA ENDBRANCH 21 25 ENDBRANCH 18 19 BRANCH 18 28 ATOM 28 C LIG 1 -0.401 -2.082 -1.990 0.00 0.00 +0.055 C BRANCH 28 29 ATOM 29 C LIG 1 -1.396 -2.975 -2.725 0.00 0.00 +0.158 C BRANCH 29 30 ATOM 30 O LIG 1 -1.783 -2.390 -3.961 0.00 0.00 -0.395 OA ATOM 31 H LIG 1 -1.007 -2.409 -4.550 0.00 0.00 +0.209 HD ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 8