REMARK Name = BDB004889 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.326 2.550 1.544 0.00 0.00 +0.095 C ATOM 2 C LIG 1 -0.654 4.021 1.809 0.00 0.00 +0.032 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 1.809 0.672 -1.055 0.00 0.00 +0.030 C ATOM 4 C LIG 1 1.063 1.037 0.133 0.00 0.00 +0.024 C ATOM 5 C LIG 1 0.395 2.205 0.256 0.00 0.00 -0.048 C ATOM 6 C LIG 1 0.410 3.201 -0.878 0.00 0.00 +0.037 C ATOM 7 C LIG 1 0.727 2.578 -2.247 0.00 0.00 +0.033 C ATOM 8 C LIG 1 1.630 1.380 -2.184 0.00 0.00 -0.003 C BRANCH 3 10 ATOM 9 C LIG 1 3.093 -1.194 -0.021 0.00 0.00 +0.248 C ATOM 10 N LIG 1 2.655 -0.416 -1.080 0.00 0.00 -0.282 N ATOM 11 H LIG 1 3.080 -0.605 -1.978 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 2.883 -1.008 1.171 0.00 0.00 -0.270 OA BRANCH 9 17 ATOM 13 C LIG 1 5.791 -3.773 0.051 0.00 0.00 +0.215 A ATOM 14 N LIG 1 5.576 -4.506 -1.063 0.00 0.00 -0.221 NA ATOM 15 C LIG 1 4.523 -4.161 -1.833 0.00 0.00 +0.115 A ATOM 16 C LIG 1 3.683 -3.099 -1.554 0.00 0.00 +0.033 A ATOM 17 C LIG 1 3.947 -2.347 -0.408 0.00 0.00 +0.043 A ATOM 18 C LIG 1 5.011 -2.696 0.422 0.00 0.00 +0.080 A BRANCH 13 20 ATOM 19 C LIG 1 7.582 -5.223 0.462 0.00 0.00 +0.279 C ATOM 20 O LIG 1 6.846 -4.080 0.886 0.00 0.00 -0.480 OA ENDBRANCH 13 20 ENDBRANCH 9 17 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 N LIG 1 -1.472 1.660 1.751 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -1.766 1.667 2.722 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.604 1.681 0.924 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -3.591 0.685 1.089 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -4.723 0.765 0.253 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -5.724 -0.217 0.413 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -5.596 -1.246 1.365 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -4.472 -1.327 2.170 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -4.824 1.753 -0.664 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -3.817 2.628 -0.751 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -3.476 -0.371 2.029 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -2.717 2.639 -0.003 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -6.981 -0.247 -0.400 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -7.850 -1.091 -0.209 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -7.150 0.692 -1.373 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -8.004 0.694 -1.911 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -6.453 1.416 -1.524 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 7