REMARK Name = BDB057703 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.763 3.899 -0.056 0.00 0.00 +0.125 A ATOM 2 C LIG 1 1.161 2.677 -0.409 0.00 0.00 +0.012 A ATOM 3 C LIG 1 1.438 1.530 0.363 0.00 0.00 +0.012 A ATOM 4 C LIG 1 2.285 1.573 1.477 0.00 0.00 -0.046 A ATOM 5 C LIG 1 2.848 2.804 1.824 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.598 3.951 1.063 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.484 4.961 -0.874 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 1.926 6.267 -0.507 0.00 0.00 +0.229 C BRANCH 8 10 ATOM 9 C LIG 1 3.791 7.946 -0.735 0.00 0.00 +0.007 C ATOM 10 C LIG 1 3.318 6.543 -1.071 0.00 0.00 +0.038 C ENDBRANCH 8 10 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 2 11 ATOM 11 C LIG 1 0.288 2.561 -1.643 0.00 0.00 +0.143 C BRANCH 11 12 ATOM 12 N LIG 1 -0.883 1.732 -1.419 0.00 0.00 -0.307 N ATOM 13 H LIG 1 -1.522 2.042 -0.702 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 -0.962 0.439 -1.891 0.00 0.00 +0.244 C ATOM 15 O LIG 1 -0.098 -0.088 -2.581 0.00 0.00 -0.270 OA BRANCH 14 16 ATOM 16 C LIG 1 -2.150 -0.345 -1.458 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -3.386 0.259 -1.203 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -4.471 -0.519 -0.787 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -4.340 -1.907 -0.624 0.00 0.00 -0.018 A ATOM 20 C LIG 1 -3.101 -2.504 -0.900 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -2.014 -1.731 -1.317 0.00 0.00 +0.013 A BRANCH 19 22 ATOM 22 C LIG 1 -5.484 -2.720 -0.188 0.00 0.00 -0.015 A ATOM 23 C LIG 1 -5.654 -3.124 1.155 0.00 0.00 -0.043 A ATOM 24 C LIG 1 -4.664 -2.744 2.224 0.00 0.00 +0.044 C ATOM 25 C LIG 1 -6.767 -3.909 1.505 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -7.707 -4.284 0.546 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -7.546 -3.885 -0.776 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -6.444 -3.111 -1.139 0.00 0.00 +0.009 A ENDBRANCH 19 22 ENDBRANCH 14 16 ENDBRANCH 11 12 ENDBRANCH 2 11 BRANCH 4 29 ATOM 29 C LIG 1 2.564 0.362 2.344 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 2.522 -1.018 1.662 0.00 0.00 +0.106 C BRANCH 30 31 ATOM 31 C LIG 1 2.589 -2.064 2.750 0.00 0.00 +0.308 C ATOM 32 O LIG 1 1.637 -2.677 3.208 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 O LIG 1 3.815 -2.242 3.277 0.00 0.00 -0.480 OA ATOM 34 H LIG 1 3.673 -2.925 3.966 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 BRANCH 30 35 ATOM 35 C LIG 1 3.643 -1.199 0.624 0.00 0.00 +0.050 C BRANCH 35 36 ATOM 36 C LIG 1 3.408 -2.399 -0.265 0.00 0.00 -0.047 A ATOM 37 C LIG 1 2.548 -2.300 -1.368 0.00 0.00 +0.003 A ATOM 38 C LIG 1 2.307 -3.409 -2.179 0.00 0.00 +0.000 A ATOM 39 C LIG 1 2.921 -4.627 -1.895 0.00 0.00 +0.000 A ATOM 40 C LIG 1 3.779 -4.736 -0.802 0.00 0.00 +0.000 A ATOM 41 C LIG 1 4.022 -3.627 0.011 0.00 0.00 +0.003 A ENDBRANCH 35 36 ENDBRANCH 30 35 ENDBRANCH 29 30 ENDBRANCH 4 29 TORSDOF 13