REMARK Name = BDB004846 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.537 -0.799 -2.185 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.573 -1.073 -1.383 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.812 -1.410 -1.955 0.00 0.00 -0.029 A ATOM 4 C LIG 1 1.932 -1.454 -3.350 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.828 -1.191 -4.157 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.401 -0.870 -3.577 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.148 -0.224 -0.358 0.00 0.00 +0.250 C ATOM 8 N LIG 1 -1.811 -0.461 -1.679 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -2.523 -0.297 -2.379 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -1.387 -0.181 0.601 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 -6.289 0.520 0.322 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -5.910 -0.396 -0.600 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 -4.587 -0.624 -0.789 0.00 0.00 +0.126 A ATOM 14 C LIG 1 -3.583 0.049 -0.115 0.00 0.00 +0.055 A ATOM 15 C LIG 1 -3.966 0.984 0.839 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -5.326 1.225 1.049 0.00 0.00 +0.044 A BRANCH 11 18 ATOM 17 C LIG 1 -8.531 0.116 -0.453 0.00 0.00 +0.130 C ATOM 18 N LIG 1 -7.652 0.767 0.518 0.00 0.00 -0.316 N BRANCH 18 19 ATOM 19 C LIG 1 -8.133 0.767 1.910 0.00 0.00 +0.134 C BRANCH 19 20 ATOM 20 C LIG 1 -7.994 -0.594 2.607 0.00 0.00 +0.174 C BRANCH 20 21 ATOM 21 O LIG 1 -8.535 -0.520 3.925 0.00 0.00 -0.393 OA ATOM 22 H LIG 1 -8.404 -1.395 4.330 0.00 0.00 +0.209 HD ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 3.014 -1.675 -1.076 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 3.797 -0.448 -0.986 0.00 0.00 -0.324 N ATOM 25 H LIG 1 3.213 0.320 -0.664 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 4.944 -0.529 -0.169 0.00 0.00 +0.130 A ATOM 27 C LIG 1 5.754 0.614 0.002 0.00 0.00 +0.041 A ATOM 28 C LIG 1 6.878 0.472 0.840 0.00 0.00 +0.088 A ATOM 29 C LIG 1 7.693 1.608 1.034 0.00 0.00 +0.063 A ATOM 30 C LIG 1 7.403 2.835 0.406 0.00 0.00 +0.015 A ATOM 31 C LIG 1 6.304 2.958 -0.429 0.00 0.00 +0.002 A ATOM 32 N LIG 1 7.149 -0.718 1.422 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 6.328 -1.744 1.166 0.00 0.00 +0.223 A ATOM 34 C LIG 1 5.488 1.855 -0.630 0.00 0.00 +0.013 A ATOM 35 N LIG 1 5.242 -1.708 0.398 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 8.911 1.604 1.905 0.00 0.00 +0.244 C ATOM 37 O LIG 1 9.611 2.604 2.036 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 9.239 0.456 2.561 0.00 0.00 -0.325 N ATOM 39 H LIG 1 10.070 0.438 3.134 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 8.686 -0.388 2.442 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 10