REMARK Name = BDB005070 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.233 -2.836 -0.170 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.075 -1.713 -0.073 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.078 -1.449 -1.023 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -2.210 -2.357 -2.087 0.00 0.00 +0.026 A ATOM 5 C LIG 1 -1.378 -3.475 -2.199 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.391 -3.712 -1.248 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.930 -0.281 -0.911 0.00 0.00 -0.229 N ATOM 8 C LIG 1 -3.292 0.172 0.373 0.00 0.00 +0.269 A ATOM 9 O LIG 1 -3.030 -0.384 1.440 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 -4.113 1.396 0.459 0.00 0.00 +0.063 A ATOM 11 C LIG 1 -4.546 1.994 -0.713 0.00 0.00 +0.056 A ATOM 12 C LIG 1 -5.336 3.143 -0.673 0.00 0.00 +0.026 A ATOM 13 C LIG 1 -5.692 3.695 0.559 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -5.260 3.097 1.743 0.00 0.00 +0.001 A ATOM 15 N LIG 1 -4.185 1.442 -1.931 0.00 0.00 -0.307 N ATOM 16 H LIG 1 -4.473 1.876 -2.800 0.00 0.00 +0.170 HD ATOM 17 C LIG 1 -4.471 1.947 1.696 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -3.377 0.348 -2.080 0.00 0.00 +0.334 A ATOM 19 O LIG 1 -3.089 0.041 -3.238 0.00 0.00 -0.246 OA ENDBRANCH 3 7 BRANCH 1 20 ATOM 20 C LIG 1 0.862 -3.062 0.850 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 2.122 -2.482 0.387 0.00 0.00 -0.324 N ATOM 22 H LIG 1 2.170 -2.510 -0.628 0.00 0.00 +0.148 HD BRANCH 21 26 ATOM 23 C LIG 1 5.014 1.409 0.343 0.00 0.00 +0.063 A ATOM 24 C LIG 1 3.852 0.760 0.812 0.00 0.00 +0.088 A ATOM 25 C LIG 1 3.607 -0.550 0.354 0.00 0.00 +0.041 A ATOM 26 C LIG 1 2.429 -1.175 0.818 0.00 0.00 +0.130 A ATOM 27 N LIG 1 1.610 -0.578 1.696 0.00 0.00 -0.220 NA ATOM 28 C LIG 1 1.929 0.655 2.077 0.00 0.00 +0.223 A ATOM 29 C LIG 1 4.527 -1.180 -0.523 0.00 0.00 +0.013 A ATOM 30 C LIG 1 5.667 -0.526 -0.968 0.00 0.00 +0.002 A ATOM 31 N LIG 1 2.995 1.354 1.672 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 5.907 0.769 -0.538 0.00 0.00 +0.015 A BRANCH 23 36 ATOM 33 N LIG 1 4.562 3.491 1.572 0.00 0.00 -0.325 N ATOM 34 H LIG 1 4.824 4.420 1.869 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 3.725 3.055 1.948 0.00 0.00 +0.145 HD ATOM 36 C LIG 1 5.392 2.803 0.739 0.00 0.00 +0.244 C ATOM 37 O LIG 1 6.422 3.330 0.331 0.00 0.00 -0.270 OA ENDBRANCH 23 36 ENDBRANCH 21 26 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 5