REMARK Name = BDB002366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.883 0.262 -0.605 0.00 0.00 +0.159 C ATOM 2 C LIG 1 0.518 -0.459 -0.732 0.00 0.00 +0.237 C ATOM 3 O LIG 1 0.119 -1.129 0.234 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 -0.265 -0.318 -1.872 0.00 0.00 -0.289 N ATOM 5 C LIG 1 0.108 0.383 -3.113 0.00 0.00 +0.108 C ATOM 6 C LIG 1 0.980 1.621 -2.971 0.00 0.00 +0.019 C ATOM 7 C LIG 1 2.461 1.283 -2.833 0.00 0.00 +0.004 C ATOM 8 C LIG 1 2.745 0.146 -1.857 0.00 0.00 +0.032 C ENDROOT BRANCH 1 10 ATOM 9 C LIG 1 3.570 0.311 1.216 0.00 0.00 +0.230 C ATOM 10 N LIG 1 2.560 -0.343 0.547 0.00 0.00 -0.303 N ATOM 11 H LIG 1 2.013 -1.037 1.052 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 4.062 1.364 0.815 0.00 0.00 -0.274 OA BRANCH 9 13 ATOM 13 C LIG 1 4.020 -0.388 2.518 0.00 0.00 +0.137 C ATOM 14 C LIG 1 3.046 -0.028 3.636 0.00 0.00 +0.034 C BRANCH 13 16 ATOM 15 C LIG 1 6.401 -0.570 2.070 0.00 0.00 +0.101 C ATOM 16 N LIG 1 5.378 0.048 2.908 0.00 0.00 -0.309 NA ATOM 17 H LIG 1 5.421 1.062 2.764 0.00 0.00 +0.122 HD ENDBRANCH 13 16 ENDBRANCH 9 13 ENDBRANCH 1 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.601 -0.966 -1.846 0.00 0.00 +0.160 C ATOM 19 C LIG 1 -1.908 -1.779 -3.105 0.00 0.00 +0.038 C BRANCH 18 20 ATOM 20 C LIG 1 -2.707 0.078 -1.577 0.00 0.00 +0.249 C ATOM 21 N LIG 1 -3.922 -0.482 -1.196 0.00 0.00 -0.235 N ATOM 22 H LIG 1 -3.953 -1.402 -0.765 0.00 0.00 +0.173 HD ATOM 23 O LIG 1 -2.563 1.293 -1.725 0.00 0.00 -0.272 OA BRANCH 21 24 ATOM 24 N LIG 1 -4.925 0.430 -0.771 0.00 0.00 -0.264 N ATOM 25 H LIG 1 -4.615 1.386 -0.999 0.00 0.00 +0.170 HD BRANCH 24 26 ATOM 26 C LIG 1 -5.145 0.318 0.626 0.00 0.00 +0.044 A ATOM 27 C LIG 1 -5.826 -0.790 1.146 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -6.008 -0.929 2.523 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -5.501 0.035 3.393 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.813 1.136 2.886 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -4.633 1.276 1.508 0.00 0.00 +0.024 A ENDBRANCH 24 26 ENDBRANCH 21 24 ENDBRANCH 18 20 ENDBRANCH 4 18 TORSDOF 7