REMARK Name = BDB042076 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.809 1.478 1.802 0.00 0.00 +0.029 C ATOM 2 C LIG 1 -2.010 -0.039 1.632 0.00 0.00 +0.030 C ATOM 3 N LIG 1 -2.878 -0.421 0.497 0.00 0.00 -0.284 NA ATOM 4 C LIG 1 -2.193 -1.068 -0.617 0.00 0.00 +0.101 C ATOM 5 C LIG 1 -1.262 -2.237 -0.193 0.00 0.00 +0.100 C ATOM 6 N LIG 1 -0.612 -2.071 1.112 0.00 0.00 -0.295 NA ATOM 7 C LIG 1 -0.568 -0.668 1.515 0.00 0.00 +0.106 C ATOM 8 C LIG 1 -2.677 -0.592 2.913 0.00 0.00 +0.029 C ENDROOT BRANCH 3 9 ATOM 9 C LIG 1 -4.121 0.319 0.211 0.00 0.00 +0.118 C BRANCH 9 10 ATOM 10 C LIG 1 -3.977 1.377 -0.899 0.00 0.00 -0.026 A ATOM 11 C LIG 1 -3.964 1.032 -2.263 0.00 0.00 +0.005 A ATOM 12 C LIG 1 -3.841 2.007 -3.255 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -3.740 3.349 -2.905 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -3.772 3.717 -1.563 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -3.894 2.741 -0.571 0.00 0.00 +0.005 A ENDBRANCH 9 10 BRANCH 9 16 ATOM 16 C LIG 1 -5.350 -0.604 0.030 0.00 0.00 -0.026 A ATOM 17 C LIG 1 -5.328 -1.959 0.407 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -6.461 -2.767 0.277 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -7.648 -2.233 -0.214 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -7.706 -0.888 -0.565 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.573 -0.080 -0.433 0.00 0.00 +0.005 A ENDBRANCH 9 16 ENDBRANCH 3 9 BRANCH 6 22 ATOM 22 C LIG 1 0.620 -2.839 1.286 0.00 0.00 +0.122 C BRANCH 22 23 ATOM 23 C LIG 1 1.831 -2.381 0.501 0.00 0.00 +0.002 A ATOM 24 C LIG 1 2.158 -3.004 -0.724 0.00 0.00 +0.129 A ATOM 25 F LIG 1 1.392 -4.004 -1.183 0.00 0.00 -0.205 F ATOM 26 C LIG 1 3.259 -2.616 -1.481 0.00 0.00 +0.052 A ATOM 27 C LIG 1 4.031 -1.592 -0.975 0.00 0.00 +0.044 A ATOM 28 C LIG 1 5.232 -0.977 -1.545 0.00 0.00 +0.248 C ATOM 29 N LIG 1 5.665 -0.021 -0.636 0.00 0.00 -0.282 N ATOM 30 C LIG 1 4.762 0.105 0.501 0.00 0.00 +0.144 C ATOM 31 O LIG 1 5.728 -1.280 -2.612 0.00 0.00 -0.270 OA ATOM 32 C LIG 1 3.749 -0.959 0.234 0.00 0.00 -0.018 A ATOM 33 C LIG 1 2.653 -1.345 0.987 0.00 0.00 +0.013 A BRANCH 29 34 ATOM 34 C LIG 1 6.722 0.937 -0.955 0.00 0.00 +0.163 C ATOM 35 C LIG 1 6.159 2.358 -1.132 0.00 0.00 +0.240 C ATOM 36 O LIG 1 5.119 2.610 -1.736 0.00 0.00 -0.273 OA ATOM 37 N LIG 1 6.871 3.366 -0.534 0.00 0.00 -0.255 N ATOM 38 H LIG 1 6.492 4.290 -0.702 0.00 0.00 +0.158 HD ATOM 39 C LIG 1 7.402 3.243 0.721 0.00 0.00 +0.219 C ATOM 40 O LIG 1 7.517 4.218 1.458 0.00 0.00 -0.275 OA ATOM 41 C LIG 1 7.711 1.842 1.194 0.00 0.00 +0.098 C ATOM 42 C LIG 1 7.894 0.886 0.027 0.00 0.00 +0.041 C ENDBRANCH 29 34 ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 6