REMARK Name = BDB045494 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.015 -1.129 0.702 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.194 -1.014 -0.011 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.833 -2.160 -0.531 0.00 0.00 +0.029 A ATOM 4 C LIG 1 1.252 -3.398 -0.295 0.00 0.00 +0.066 A ATOM 5 N LIG 1 2.090 -4.305 -0.878 0.00 0.00 -0.276 N ATOM 6 H LIG 1 1.988 -5.313 -0.902 0.00 0.00 +0.189 HD ATOM 7 N LIG 1 3.170 -3.765 -1.462 0.00 0.00 -0.173 NA ATOM 8 C LIG 1 0.064 -3.557 0.419 0.00 0.00 +0.029 A ATOM 9 C LIG 1 3.023 -2.441 -1.280 0.00 0.00 +0.100 A ATOM 10 C LIG 1 -0.554 -2.397 0.914 0.00 0.00 +0.025 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 4.018 -1.503 -1.799 0.00 0.00 +0.003 A ATOM 12 C LIG 1 5.376 -1.826 -1.765 0.00 0.00 +0.012 A ATOM 13 C LIG 1 6.340 -0.929 -2.249 0.00 0.00 +0.024 A ATOM 14 C LIG 1 5.992 0.318 -2.788 0.00 0.00 +0.030 A ATOM 15 C LIG 1 4.622 0.617 -2.826 0.00 0.00 +0.024 A ATOM 16 C LIG 1 3.648 -0.275 -2.349 0.00 0.00 +0.012 A BRANCH 14 17 ATOM 17 N LIG 1 6.947 1.202 -3.257 0.00 0.00 -0.326 N ATOM 18 C LIG 1 6.669 2.635 -3.439 0.00 0.00 +0.133 C ATOM 19 C LIG 1 7.975 3.442 -3.337 0.00 0.00 +0.178 C ATOM 20 O LIG 1 8.974 3.068 -4.298 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 8.870 1.701 -4.719 0.00 0.00 +0.178 C ATOM 22 C LIG 1 8.294 0.758 -3.648 0.00 0.00 +0.133 C ENDBRANCH 14 17 ENDBRANCH 9 11 BRANCH 1 25 ATOM 23 O LIG 1 -1.788 1.632 2.146 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 -1.729 0.461 1.764 0.00 0.00 +0.219 C ATOM 25 N LIG 1 -0.557 0.083 1.171 0.00 0.00 -0.285 N ATOM 26 H LIG 1 0.035 0.899 1.063 0.00 0.00 +0.155 HD BRANCH 24 27 ATOM 27 C LIG 1 -2.865 -0.528 1.955 0.00 0.00 +0.118 C BRANCH 27 28 ATOM 28 C LIG 1 -4.264 0.075 2.340 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -5.279 -1.109 2.496 0.00 0.00 +0.023 C ATOM 30 C LIG 1 -5.199 -1.790 3.859 0.00 0.00 +0.002 C ATOM 31 C LIG 1 -5.545 -0.835 5.001 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -5.295 0.633 4.661 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -4.097 0.794 3.727 0.00 0.00 +0.023 C BRANCH 28 34 ATOM 34 N LIG 1 -4.720 0.980 1.251 0.00 0.00 -0.292 NA ATOM 35 C LIG 1 -5.765 1.965 1.577 0.00 0.00 +0.113 C ATOM 36 C LIG 1 -6.229 2.725 0.323 0.00 0.00 +0.175 C ATOM 37 O LIG 1 -6.849 1.877 -0.653 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -6.382 0.526 -0.593 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -4.934 0.395 -0.087 0.00 0.00 +0.113 C ENDBRANCH 28 34 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 25 TORSDOF 6