REMARK Name = BDB058046 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.896 0.014 -2.013 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.474 0.194 -0.753 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -2.675 -0.449 -0.444 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -3.318 -1.252 -1.397 0.00 0.00 -0.021 A ATOM 5 C LIG 1 -2.733 -1.419 -2.659 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -1.533 -0.777 -2.973 0.00 0.00 +0.013 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.572 -1.948 -1.097 0.00 0.00 +0.058 C ATOM 8 C LIG 1 -5.660 -1.353 -0.592 0.00 0.00 +0.176 C ATOM 9 C LIG 1 -6.926 -2.073 -0.303 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -7.190 -3.245 -0.449 0.00 0.00 -0.283 OA ATOM 11 C LIG 1 -7.791 -1.016 0.207 0.00 0.00 +0.068 A ATOM 12 C LIG 1 -7.060 0.174 0.190 0.00 0.00 +0.152 A ATOM 13 C LIG 1 -7.629 1.358 0.623 0.00 0.00 +0.079 A ATOM 14 C LIG 1 -8.960 1.302 1.081 0.00 0.00 +0.017 A ATOM 15 C LIG 1 -9.685 0.092 1.093 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -9.098 -1.091 0.648 0.00 0.00 +0.015 A ATOM 17 O LIG 1 -5.779 -0.004 -0.285 0.00 0.00 -0.451 OA BRANCH 13 18 ATOM 18 C LIG 1 -6.927 2.667 0.638 0.00 0.00 +0.245 C ATOM 19 O LIG 1 -7.452 3.663 1.121 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 -5.680 2.740 0.088 0.00 0.00 -0.325 N ATOM 21 H LIG 1 -5.236 3.649 0.054 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -5.232 1.970 -0.393 0.00 0.00 +0.145 HD ENDBRANCH 13 18 ENDBRANCH 4 7 BRANCH 1 27 ATOM 23 N LIG 1 3.935 0.170 -0.053 0.00 0.00 -0.297 N ATOM 24 C LIG 1 3.092 -0.981 -0.365 0.00 0.00 +0.127 C ATOM 25 C LIG 1 1.631 -0.541 -0.573 0.00 0.00 +0.127 C ATOM 26 N LIG 1 1.482 0.528 -1.572 0.00 0.00 -0.295 N ATOM 27 C LIG 1 0.362 0.703 -2.377 0.00 0.00 +0.247 C ATOM 28 O LIG 1 0.358 1.405 -3.385 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 2.695 1.279 -1.904 0.00 0.00 +0.127 C ATOM 30 C LIG 1 3.655 1.448 -0.713 0.00 0.00 +0.127 C BRANCH 23 34 ATOM 31 C LIG 1 7.703 -0.497 1.474 0.00 0.00 +0.095 A ATOM 32 C LIG 1 7.250 0.755 1.143 0.00 0.00 +0.131 A ATOM 33 N LIG 1 6.019 0.994 0.634 0.00 0.00 -0.222 NA ATOM 34 C LIG 1 5.199 -0.055 0.444 0.00 0.00 +0.218 A ATOM 35 N LIG 1 5.565 -1.314 0.745 0.00 0.00 -0.222 NA ATOM 36 C LIG 1 6.804 -1.510 1.251 0.00 0.00 +0.131 A BRANCH 31 37 ATOM 37 C LIG 1 9.031 -0.788 2.028 0.00 0.00 +0.342 C ATOM 38 O LIG 1 9.404 -1.914 2.313 0.00 0.00 -0.245 OA BRANCH 37 40 ATOM 39 C LIG 1 11.061 0.152 2.700 0.00 0.00 +0.280 C ATOM 40 O LIG 1 9.750 0.352 2.165 0.00 0.00 -0.464 OA ENDBRANCH 37 40 ENDBRANCH 31 37 ENDBRANCH 23 34 ENDBRANCH 1 27 TORSDOF 6