REMARK Name = BDB015954 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.149 0.157 0.374 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.137 -0.089 0.059 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.076 0.053 1.017 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -0.743 0.479 2.302 0.00 0.00 +0.060 A ATOM 5 C LIG 1 0.606 0.686 2.526 0.00 0.00 +0.126 A ATOM 6 N LIG 1 1.568 0.535 1.592 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.513 0.003 -1.430 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.538 0.156 -0.429 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.161 -0.005 -0.691 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.791 -0.327 -2.010 0.00 0.00 +0.011 A ATOM 11 C LIG 1 2.745 -0.479 -3.018 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.099 -0.315 -2.728 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 9.468 -0.352 -1.471 0.00 0.00 +0.172 C ATOM 14 N LIG 1 8.111 0.011 -1.145 0.00 0.00 -0.274 N ATOM 15 N LIG 1 7.880 0.854 -0.124 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.547 0.956 -0.102 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.920 0.186 -1.111 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.974 -0.418 -1.766 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -1.700 0.718 3.376 0.00 0.00 +0.097 A ATOM 20 N LIG 1 -1.389 0.455 4.658 0.00 0.00 -0.171 NA ATOM 21 N LIG 1 -2.483 0.806 5.355 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -2.490 0.651 6.789 0.00 0.00 +0.172 C ATOM 23 C LIG 1 -3.489 1.293 4.579 0.00 0.00 +0.108 A ATOM 24 C LIG 1 -3.013 1.258 3.290 0.00 0.00 +0.049 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.420 -0.233 0.682 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.782 -0.882 1.378 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.631 -0.729 -0.686 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 -4.140 -0.967 -0.917 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -4.457 -1.603 -2.291 0.00 0.00 +0.133 C ATOM 30 C LIG 1 -4.709 -0.554 -3.402 0.00 0.00 +0.112 C ATOM 31 N LIG 1 -4.111 0.748 -3.116 0.00 0.00 -0.314 NA ATOM 32 H LIG 1 -4.246 1.388 -3.897 0.00 0.00 +0.122 HD ATOM 33 C LIG 1 -4.603 1.347 -1.876 0.00 0.00 +0.081 C ATOM 34 C LIG 1 -4.965 0.324 -0.793 0.00 0.00 +0.023 C BRANCH 29 35 ATOM 35 O LIG 1 -3.455 -2.533 -2.695 0.00 0.00 -0.390 OA ATOM 36 H LIG 1 -3.427 -3.246 -2.034 0.00 0.00 +0.210 HD ENDBRANCH 29 35 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7