REMARK Name = BDB047304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.702 0.759 -2.733 0.00 0.00 -0.004 A ATOM 2 C LIG 1 0.134 -0.037 -1.897 0.00 0.00 +0.132 A ATOM 3 C LIG 1 -0.362 -0.645 -0.720 0.00 0.00 +0.040 A ATOM 4 C LIG 1 -1.672 -0.350 -0.371 0.00 0.00 +0.175 A ATOM 5 C LIG 1 -2.458 0.472 -1.146 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -3.735 0.570 -0.471 0.00 0.00 +0.291 A ATOM 7 N LIG 1 -3.674 -0.315 0.586 0.00 0.00 -0.167 N ATOM 8 O LIG 1 -4.622 1.335 -0.801 0.00 0.00 -0.264 OA ATOM 9 O LIG 1 -2.341 -0.819 0.732 0.00 0.00 -0.373 OA ATOM 10 C LIG 1 -2.017 1.038 -2.322 0.00 0.00 +0.024 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -4.381 -0.179 1.858 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -5.895 -0.383 1.683 0.00 0.00 +0.028 C ATOM 13 C LIG 1 -6.661 0.120 2.900 0.00 0.00 +0.002 C ATOM 14 C LIG 1 -6.460 1.620 3.122 0.00 0.00 +0.000 C ATOM 15 C LIG 1 -5.151 2.159 2.544 0.00 0.00 +0.002 C ATOM 16 C LIG 1 -4.029 1.127 2.598 0.00 0.00 +0.028 C ENDBRANCH 7 11 BRANCH 1 17 ATOM 17 C LIG 1 -0.269 1.262 -4.094 0.00 0.00 +0.038 C BRANCH 17 19 ATOM 18 C LIG 1 -1.480 -0.464 -5.527 0.00 0.00 +0.004 C ATOM 19 C LIG 1 -0.143 0.158 -5.149 0.00 0.00 +0.001 C ENDBRANCH 17 19 ENDBRANCH 1 17 BRANCH 2 20 ATOM 20 O LIG 1 1.430 -0.315 -2.270 0.00 0.00 -0.472 OA BRANCH 20 21 ATOM 21 C LIG 1 2.332 0.783 -2.043 0.00 0.00 +0.311 C BRANCH 21 22 ATOM 22 C LIG 1 3.163 0.509 -0.798 0.00 0.00 +0.004 A ATOM 23 C LIG 1 3.042 1.331 0.331 0.00 0.00 +0.008 A ATOM 24 C LIG 1 3.811 1.085 1.471 0.00 0.00 +0.004 A ATOM 25 C LIG 1 4.715 0.014 1.511 0.00 0.00 -0.045 A ATOM 26 C LIG 1 4.828 -0.810 0.384 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.060 -0.569 -0.758 0.00 0.00 +0.008 A BRANCH 25 28 ATOM 28 C LIG 1 5.552 -0.278 2.744 0.00 0.00 +0.013 C ATOM 29 C LIG 1 4.674 -0.656 3.940 0.00 0.00 +0.012 C ATOM 30 C LIG 1 6.474 0.893 3.093 0.00 0.00 +0.012 C ENDBRANCH 25 28 ENDBRANCH 21 22 BRANCH 21 31 ATOM 31 C LIG 1 3.236 1.019 -3.278 0.00 0.00 +0.351 C ATOM 32 O LIG 1 3.052 0.536 -4.388 0.00 0.00 -0.246 OA BRANCH 31 33 ATOM 33 O LIG 1 4.267 1.882 -3.063 0.00 0.00 -0.478 OA ATOM 34 H LIG 1 4.376 2.159 -2.132 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 21 31 ENDBRANCH 20 21 ENDBRANCH 2 20 BRANCH 3 35 ATOM 35 C LIG 1 0.434 -1.624 0.104 0.00 0.00 +0.042 C BRANCH 35 36 ATOM 36 C LIG 1 0.501 -3.005 -0.550 0.00 0.00 +0.001 C ATOM 37 C LIG 1 1.313 -3.977 0.291 0.00 0.00 +0.004 C ENDBRANCH 35 36 ENDBRANCH 3 35 TORSDOF 11