REMARK Name = BDB000848 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.506 -1.123 0.665 0.00 0.00 +0.163 C ATOM 2 C LIG 1 1.430 -0.582 -0.278 0.00 0.00 +0.237 C ATOM 3 O LIG 1 1.140 0.624 -0.253 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 0.738 -1.456 -1.106 0.00 0.00 -0.281 N ATOM 5 C LIG 1 1.076 -2.849 -1.500 0.00 0.00 +0.107 C ATOM 6 C LIG 1 -0.238 -3.647 -1.704 0.00 0.00 +0.027 C ATOM 7 C LIG 1 -1.155 -3.046 -2.767 0.00 0.00 +0.004 C ATOM 8 C LIG 1 -0.838 -1.589 -3.069 0.00 0.00 +0.032 C ATOM 9 C LIG 1 2.015 -3.729 -0.676 0.00 0.00 -0.024 A ATOM 10 C LIG 1 2.329 -3.559 0.680 0.00 0.00 -0.040 A ATOM 11 C LIG 1 3.121 -4.514 1.349 0.00 0.00 +0.004 A ATOM 12 C LIG 1 3.630 -5.623 0.679 0.00 0.00 +0.000 A ATOM 13 C LIG 1 3.364 -5.787 -0.671 0.00 0.00 +0.000 A ATOM 14 C LIG 1 2.570 -4.853 -1.337 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -0.385 -0.823 -1.828 0.00 0.00 +0.163 C ATOM 16 C LIG 1 1.934 -2.316 1.424 0.00 0.00 +0.067 C ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 3.929 0.786 1.341 0.00 0.00 +0.230 C ATOM 18 N LIG 1 2.855 -0.045 1.602 0.00 0.00 -0.302 N ATOM 19 H LIG 1 2.065 0.392 2.062 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 4.761 0.560 0.464 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 3.974 2.054 2.228 0.00 0.00 +0.137 C ATOM 22 C LIG 1 3.253 3.174 1.478 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 5.588 3.574 3.286 0.00 0.00 +0.101 C ATOM 24 N LIG 1 5.384 2.337 2.555 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 5.923 2.337 1.685 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 15 26 ATOM 26 C LIG 1 -1.575 -0.609 -0.858 0.00 0.00 +0.234 C ATOM 27 N LIG 1 -2.388 0.451 -1.200 0.00 0.00 -0.303 N ATOM 28 H LIG 1 -2.063 1.117 -1.885 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -1.801 -1.345 0.100 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 C LIG 1 -3.470 0.889 -0.336 0.00 0.00 +0.134 C BRANCH 30 31 ATOM 31 C LIG 1 -3.015 1.811 0.797 0.00 0.00 -0.023 A ATOM 32 C LIG 1 -3.902 2.071 1.859 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -3.539 2.916 2.909 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.283 3.517 2.918 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -1.390 3.272 1.878 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.752 2.427 0.826 0.00 0.00 +0.006 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -4.559 1.497 -1.215 0.00 0.00 -0.023 A ATOM 38 C LIG 1 -4.495 2.825 -1.669 0.00 0.00 +0.006 A ATOM 39 C LIG 1 -5.490 3.343 -2.499 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.556 2.539 -2.898 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -6.627 1.216 -2.469 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -5.634 0.696 -1.637 0.00 0.00 +0.006 A ENDBRANCH 30 37 ENDBRANCH 27 30 ENDBRANCH 15 26 TORSDOF 7