REMARK Name = BDB051757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.647 -2.033 -1.817 0.00 0.00 +0.047 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.728 -0.824 -1.679 0.00 0.00 +0.263 C BRANCH 2 3 ATOM 3 O LIG 1 0.563 -1.262 -1.257 0.00 0.00 -0.394 OA BRANCH 3 6 ATOM 4 C LIG 1 2.993 -1.907 -0.441 0.00 0.00 +0.069 C ATOM 5 C LIG 1 2.571 -0.469 -0.675 0.00 0.00 +0.084 C ATOM 6 N LIG 1 1.375 -0.136 -1.067 0.00 0.00 -0.089 NA BRANCH 5 7 ATOM 7 C LIG 1 3.576 0.612 -0.451 0.00 0.00 -0.000 A ATOM 8 C LIG 1 4.947 0.383 -0.630 0.00 0.00 +0.018 A ATOM 9 C LIG 1 5.886 1.409 -0.421 0.00 0.00 -0.017 A ATOM 10 C LIG 1 5.414 2.674 -0.035 0.00 0.00 +0.008 A ATOM 11 C LIG 1 4.049 2.912 0.133 0.00 0.00 +0.001 A ATOM 12 C LIG 1 3.131 1.885 -0.078 0.00 0.00 +0.010 A BRANCH 9 13 ATOM 13 C LIG 1 7.325 1.164 -0.609 0.00 0.00 -0.018 A ATOM 14 C LIG 1 7.980 0.131 0.083 0.00 0.00 +0.008 A ATOM 15 C LIG 1 9.346 -0.103 -0.096 0.00 0.00 +0.001 A ATOM 16 C LIG 1 10.081 0.693 -0.971 0.00 0.00 +0.000 A ATOM 17 C LIG 1 9.451 1.722 -1.667 0.00 0.00 +0.001 A ATOM 18 C LIG 1 8.085 1.956 -1.486 0.00 0.00 +0.008 A ENDBRANCH 9 13 ENDBRANCH 5 7 ENDBRANCH 3 6 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -1.761 -2.889 -0.548 0.00 0.00 +0.047 C BRANCH 19 20 ATOM 20 C LIG 1 -2.239 -2.126 0.684 0.00 0.00 +0.263 C BRANCH 20 21 ATOM 21 O LIG 1 -3.476 -1.483 0.383 0.00 0.00 -0.394 OA BRANCH 21 22 ATOM 22 N LIG 1 -3.892 -0.757 1.506 0.00 0.00 -0.089 NA ATOM 23 C LIG 1 -4.925 -0.007 1.249 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 -5.639 0.068 -0.053 0.00 0.00 -0.001 A ATOM 25 C LIG 1 -6.168 -1.092 -0.628 0.00 0.00 +0.010 A ATOM 26 C LIG 1 -6.859 -1.012 -1.837 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -7.024 0.223 -2.465 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -6.501 1.381 -1.887 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -5.808 1.307 -0.678 0.00 0.00 +0.010 A ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 C LIG 1 -5.443 0.899 2.355 0.00 0.00 +0.070 C BRANCH 30 31 ATOM 31 C LIG 1 -5.438 0.191 3.706 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 -6.092 1.031 4.773 0.00 0.00 +0.305 C ATOM 33 O LIG 1 -6.618 2.118 4.593 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -6.046 0.441 5.990 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 -5.590 -0.422 5.987 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 23 30 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 14