REMARK Name = BDB062100 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.831 -1.881 -0.806 0.00 0.00 +0.097 A ATOM 2 C LIG 1 -1.093 -0.598 -0.281 0.00 0.00 +0.101 A ATOM 3 N LIG 1 -2.270 0.048 -0.535 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 -3.175 -0.616 -1.279 0.00 0.00 +0.234 A ATOM 5 C LIG 1 -2.929 -1.885 -1.771 0.00 0.00 +0.178 A ATOM 6 N LIG 1 -1.768 -2.543 -1.547 0.00 0.00 -0.248 NA ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 2.872 -4.093 -0.333 0.00 0.00 +0.000 A ATOM 8 C LIG 1 2.868 -2.767 -0.796 0.00 0.00 +0.010 A ATOM 9 C LIG 1 1.676 -2.046 -0.957 0.00 0.00 +0.011 A ATOM 10 C LIG 1 0.435 -2.621 -0.650 0.00 0.00 +0.002 A ATOM 11 C LIG 1 0.431 -3.955 -0.214 0.00 0.00 +0.011 A ATOM 12 C LIG 1 1.624 -4.675 -0.056 0.00 0.00 +0.010 A BRANCH 7 16 ATOM 13 C LIG 1 6.579 -6.119 0.026 0.00 0.00 +0.020 A ATOM 14 C LIG 1 6.332 -5.116 -0.893 0.00 0.00 +0.111 A ATOM 15 N LIG 1 5.151 -4.469 -1.002 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 4.143 -4.831 -0.165 0.00 0.00 +0.071 A ATOM 17 C LIG 1 4.322 -5.829 0.794 0.00 0.00 +0.028 A ATOM 18 C LIG 1 5.553 -6.478 0.888 0.00 0.00 +0.004 A ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 2 19 ATOM 19 C LIG 1 -0.180 0.166 0.590 0.00 0.00 +0.003 A ATOM 20 C LIG 1 0.136 1.500 0.292 0.00 0.00 +0.011 A ATOM 21 C LIG 1 1.002 2.244 1.105 0.00 0.00 +0.010 A ATOM 22 C LIG 1 1.584 1.687 2.256 0.00 0.00 +0.000 A ATOM 23 C LIG 1 1.241 0.360 2.564 0.00 0.00 +0.010 A ATOM 24 C LIG 1 0.375 -0.386 1.753 0.00 0.00 +0.011 A BRANCH 22 25 ATOM 25 C LIG 1 2.506 2.450 3.124 0.00 0.00 +0.071 A ATOM 26 N LIG 1 2.486 2.119 4.442 0.00 0.00 -0.255 NA ATOM 27 C LIG 1 3.308 2.791 5.278 0.00 0.00 +0.111 A ATOM 28 C LIG 1 4.174 3.789 4.872 0.00 0.00 +0.020 A ATOM 29 C LIG 1 4.200 4.117 3.524 0.00 0.00 +0.004 A ATOM 30 C LIG 1 3.360 3.443 2.639 0.00 0.00 +0.028 A ENDBRANCH 22 25 ENDBRANCH 2 19 BRANCH 4 31 ATOM 31 O LIG 1 -4.385 -0.037 -1.593 0.00 0.00 -0.475 OA BRANCH 31 32 ATOM 32 C LIG 1 -4.618 1.242 -0.990 0.00 0.00 +0.234 C BRANCH 32 33 ATOM 33 C LIG 1 -4.026 2.389 -1.834 0.00 0.00 +0.029 C ATOM 34 C LIG 1 -4.310 3.754 -1.175 0.00 0.00 +0.022 C ATOM 35 C LIG 1 -5.391 4.564 -1.899 0.00 0.00 +0.081 C ATOM 36 N LIG 1 -6.475 3.698 -2.342 0.00 0.00 -0.316 NA ATOM 37 H LIG 1 -7.246 4.254 -2.710 0.00 0.00 +0.122 HD ATOM 38 C LIG 1 -6.039 2.732 -3.354 0.00 0.00 +0.081 C ATOM 39 C LIG 1 -4.550 2.378 -3.276 0.00 0.00 +0.022 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 4 31 TORSDOF 7