REMARK Name = BDB042042 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.185 0.855 1.611 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.130 0.461 1.406 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -0.930 0.717 0.202 0.00 0.00 +0.123 C ATOM 4 C LIG 1 -2.426 0.894 0.532 0.00 0.00 +0.104 C ATOM 5 N LIG 1 -3.001 -0.128 1.427 0.00 0.00 -0.287 NA ATOM 6 C LIG 1 -2.020 -1.132 1.861 0.00 0.00 +0.104 C ATOM 7 C LIG 1 -0.709 -0.492 2.354 0.00 0.00 +0.123 C ATOM 8 O LIG 1 1.903 0.386 2.491 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 14 ATOM 9 N LIG 1 4.788 0.661 -0.975 0.00 0.00 -0.282 N ATOM 10 C LIG 1 4.711 1.979 -1.405 0.00 0.00 +0.248 C ATOM 11 O LIG 1 5.464 2.569 -2.155 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 3.514 2.558 -0.785 0.00 0.00 +0.042 A ATOM 13 C LIG 1 2.946 1.590 0.039 0.00 0.00 -0.006 A ATOM 14 C LIG 1 1.781 1.874 0.728 0.00 0.00 +0.042 A ATOM 15 C LIG 1 1.231 3.162 0.624 0.00 0.00 +0.013 A ATOM 16 C LIG 1 1.826 4.129 -0.208 0.00 0.00 +0.001 A ATOM 17 C LIG 1 2.981 3.826 -0.932 0.00 0.00 +0.013 A ATOM 18 C LIG 1 3.780 0.355 0.035 0.00 0.00 +0.145 C BRANCH 9 25 ATOM 19 O LIG 1 8.767 -3.050 -0.238 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 7.973 -2.173 -0.563 0.00 0.00 +0.219 C ATOM 21 N LIG 1 7.968 -0.953 0.063 0.00 0.00 -0.255 N ATOM 22 H LIG 1 8.599 -0.869 0.850 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 6.967 -0.009 0.018 0.00 0.00 +0.240 C ATOM 24 O LIG 1 6.901 0.864 0.881 0.00 0.00 -0.273 OA ATOM 25 C LIG 1 5.994 -0.136 -1.167 0.00 0.00 +0.163 C ATOM 26 C LIG 1 5.684 -1.612 -1.404 0.00 0.00 +0.041 C ATOM 27 C LIG 1 6.978 -2.361 -1.685 0.00 0.00 +0.098 C ENDBRANCH 9 25 ENDBRANCH 1 14 BRANCH 5 28 ATOM 28 C LIG 1 -4.276 -0.725 0.953 0.00 0.00 +0.136 C BRANCH 28 29 ATOM 29 C LIG 1 -4.197 -1.653 -0.282 0.00 0.00 +0.063 A ATOM 30 N LIG 1 -3.244 -1.434 -1.231 0.00 0.00 -0.258 NA ATOM 31 C LIG 1 -3.222 -2.256 -2.303 0.00 0.00 +0.111 A ATOM 32 C LIG 1 -4.112 -3.298 -2.494 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -5.087 -3.511 -1.530 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -5.135 -2.682 -0.412 0.00 0.00 +0.025 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.391 0.328 0.879 0.00 0.00 -0.024 A ATOM 36 C LIG 1 -5.854 0.859 -0.337 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.866 1.822 -0.358 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.424 2.276 0.835 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.967 1.774 2.050 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.957 0.811 2.073 0.00 0.00 +0.005 A ENDBRANCH 28 35 ENDBRANCH 5 28 TORSDOF 5