REMARK Name = BDB001848 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.993 1.451 -1.907 0.00 0.00 +0.143 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.453 1.237 -1.524 0.00 0.00 -0.030 A ATOM 3 C LIG 1 1.353 0.683 -2.444 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.683 0.456 -2.088 0.00 0.00 +0.004 A ATOM 5 C LIG 1 3.144 0.793 -0.811 0.00 0.00 -0.045 A ATOM 6 C LIG 1 2.255 1.376 0.100 0.00 0.00 +0.004 A ATOM 7 C LIG 1 0.921 1.599 -0.254 0.00 0.00 +0.005 A BRANCH 5 8 ATOM 8 C LIG 1 4.580 0.526 -0.425 0.00 0.00 +0.071 C BRANCH 8 9 ATOM 9 C LIG 1 4.767 -0.700 0.486 0.00 0.00 +0.199 C BRANCH 9 10 ATOM 10 N LIG 1 5.992 -0.579 1.289 0.00 0.00 -0.339 N ATOM 11 C LIG 1 7.234 -0.213 0.829 0.00 0.00 +0.086 A ATOM 12 C LIG 1 8.120 -0.287 1.883 0.00 0.00 +0.019 A ATOM 13 C LIG 1 7.391 -0.709 3.018 0.00 0.00 +0.019 A ATOM 14 C LIG 1 6.081 -0.882 2.625 0.00 0.00 +0.086 A ENDBRANCH 9 10 BRANCH 9 15 ATOM 15 C LIG 1 4.698 -2.005 -0.303 0.00 0.00 +0.328 C ATOM 16 O LIG 1 3.709 -2.335 -0.949 0.00 0.00 -0.249 OA BRANCH 15 17 ATOM 17 O LIG 1 5.772 -2.826 -0.259 0.00 0.00 -0.479 OA ATOM 18 H LIG 1 6.507 -2.565 0.325 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 9 15 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 21 ATOM 19 C LIG 1 -3.347 -0.857 -3.837 0.00 0.00 +0.109 C ATOM 20 C LIG 1 -2.584 0.371 -3.401 0.00 0.00 +0.213 C ATOM 21 N LIG 1 -1.665 0.231 -2.367 0.00 0.00 -0.291 N ATOM 22 O LIG 1 -2.768 1.441 -3.989 0.00 0.00 -0.276 OA BRANCH 21 23 ATOM 23 C LIG 1 -1.634 -0.944 -1.486 0.00 0.00 +0.167 C BRANCH 23 24 ATOM 24 C LIG 1 -2.506 -0.730 -0.295 0.00 0.00 +0.100 A ATOM 25 C LIG 1 -2.176 -0.719 1.044 0.00 0.00 +0.127 A ATOM 26 C LIG 1 -0.942 -0.911 1.822 0.00 0.00 +0.088 C ATOM 27 O LIG 1 -3.315 -0.463 1.756 0.00 0.00 -0.440 OA ATOM 28 C LIG 1 -4.291 -0.329 0.804 0.00 0.00 +0.228 A ATOM 29 N LIG 1 -3.855 -0.481 -0.431 0.00 0.00 -0.212 NA BRANCH 28 30 ATOM 30 C LIG 1 -5.638 -0.021 1.273 0.00 0.00 +0.037 A ATOM 31 C LIG 1 -6.631 0.320 0.343 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -7.928 0.633 0.759 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -8.248 0.606 2.114 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.276 0.264 3.052 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.978 -0.047 2.634 0.00 0.00 +0.013 A ENDBRANCH 28 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 10