REMARK Name = BDB060568 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.364 -1.064 -0.185 0.00 0.00 +0.162 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 0.308 -3.894 -0.833 0.00 0.00 +0.065 C ATOM 3 C LIG 1 1.735 -3.502 -0.756 0.00 0.00 +0.036 A ATOM 4 N LIG 1 2.196 -2.236 -0.446 0.00 0.00 -0.323 N ATOM 5 C LIG 1 3.580 -2.289 -0.425 0.00 0.00 +0.141 A ATOM 6 N LIG 1 3.995 -3.486 -0.798 0.00 0.00 -0.236 NA ATOM 7 C LIG 1 2.873 -4.240 -0.986 0.00 0.00 +0.134 A BRANCH 5 8 ATOM 8 C LIG 1 4.478 -1.183 -0.091 0.00 0.00 +0.017 A ATOM 9 C LIG 1 4.464 -0.588 1.174 0.00 0.00 +0.012 A ATOM 10 C LIG 1 5.337 0.466 1.471 0.00 0.00 +0.012 A ATOM 11 C LIG 1 6.252 0.939 0.518 0.00 0.00 +0.017 A ATOM 12 C LIG 1 6.277 0.318 -0.739 0.00 0.00 +0.012 A ATOM 13 C LIG 1 5.404 -0.736 -1.037 0.00 0.00 +0.012 A BRANCH 11 14 ATOM 14 C LIG 1 7.165 2.039 0.823 0.00 0.00 +0.135 A ATOM 15 O LIG 1 7.026 2.623 2.053 0.00 0.00 -0.463 OA ATOM 16 C LIG 1 7.952 3.610 2.144 0.00 0.00 +0.196 A ATOM 17 C LIG 1 8.692 3.682 0.989 0.00 0.00 +0.042 A ATOM 18 C LIG 1 8.185 2.671 0.136 0.00 0.00 +0.050 A ENDBRANCH 11 14 ENDBRANCH 5 8 ENDBRANCH 1 4 BRANCH 1 19 ATOM 19 C LIG 1 0.718 -0.517 -1.441 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -0.682 -0.451 -1.578 0.00 0.00 +0.125 A ATOM 21 C LIG 1 -1.236 0.091 -2.743 0.00 0.00 +0.046 A ATOM 22 C LIG 1 -0.415 0.555 -3.772 0.00 0.00 +0.004 A ATOM 23 C LIG 1 0.968 0.491 -3.644 0.00 0.00 +0.001 A ATOM 24 C LIG 1 1.531 -0.035 -2.484 0.00 0.00 +0.009 A BRANCH 20 25 ATOM 25 O LIG 1 -1.411 -0.913 -0.515 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 -2.806 -1.168 -0.688 0.00 0.00 +0.229 C BRANCH 26 27 ATOM 27 C LIG 1 -3.624 0.041 -0.236 0.00 0.00 +0.041 C BRANCH 27 28 ATOM 28 C LIG 1 -5.125 -0.215 -0.384 0.00 0.00 +0.004 C BRANCH 28 29 ATOM 29 C LIG 1 -5.989 0.987 0.028 0.00 0.00 +0.017 C BRANCH 29 30 ATOM 30 C LIG 1 -6.511 1.013 1.488 0.00 0.00 +0.062 C ATOM 31 C LIG 1 -5.385 0.947 2.529 0.00 0.00 +0.022 C ATOM 32 C LIG 1 -7.483 -0.153 1.751 0.00 0.00 +0.022 C BRANCH 30 33 ATOM 33 C LIG 1 -7.286 2.319 1.663 0.00 0.00 +0.310 C ATOM 34 O LIG 1 -8.498 2.458 1.636 0.00 0.00 -0.250 OA BRANCH 33 35 ATOM 35 O LIG 1 -6.495 3.400 1.812 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -7.127 4.146 1.888 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 1 19 TORSDOF 12