REMARK Name = BDB048357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.295 0.380 1.776 0.00 0.00 +0.109 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.699 0.025 2.028 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -2.493 1.037 2.722 0.00 0.00 +0.130 C BRANCH 2 6 ATOM 4 C LIG 1 -4.282 -0.930 -0.288 0.00 0.00 +0.162 A ATOM 5 N LIG 1 -3.635 -0.267 0.690 0.00 0.00 -0.213 NA ATOM 6 C LIG 1 -2.381 -0.643 0.999 0.00 0.00 +0.125 A ATOM 7 C LIG 1 -1.793 -1.711 0.342 0.00 0.00 +0.066 A ATOM 8 C LIG 1 -2.519 -2.342 -0.649 0.00 0.00 +0.044 A ATOM 9 C LIG 1 -1.931 -3.502 -1.392 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -3.764 -1.960 -0.981 0.00 0.00 -0.232 NA BRANCH 4 14 ATOM 11 C LIG 1 -8.301 0.344 -1.266 0.00 0.00 -0.048 A ATOM 12 C LIG 1 -7.700 -0.712 -1.958 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -6.400 -1.123 -1.638 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -5.655 -0.494 -0.623 0.00 0.00 +0.019 A ATOM 15 C LIG 1 -6.276 0.571 0.056 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -7.575 0.986 -0.259 0.00 0.00 +0.004 A BRANCH 11 18 ATOM 17 C LIG 1 -9.680 1.875 -2.695 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -9.693 0.799 -1.619 0.00 0.00 +0.032 C ENDBRANCH 11 18 ENDBRANCH 4 14 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.599 -0.360 2.773 0.00 0.00 +0.060 C BRANCH 19 20 ATOM 20 C LIG 1 2.071 -0.011 2.579 0.00 0.00 +0.230 C BRANCH 20 21 ATOM 21 O LIG 1 2.473 -0.435 1.278 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 3.768 -0.187 0.913 0.00 0.00 +0.121 A ATOM 23 C LIG 1 4.744 0.408 1.714 0.00 0.00 +0.049 A ATOM 24 C LIG 1 6.018 0.580 1.188 0.00 0.00 -0.040 A ATOM 25 C LIG 1 7.196 1.217 1.857 0.00 0.00 +0.036 C ATOM 26 C LIG 1 8.341 0.696 0.981 0.00 0.00 +0.013 C ATOM 27 C LIG 1 7.764 0.539 -0.445 0.00 0.00 +0.030 C ATOM 28 C LIG 1 6.335 0.185 -0.119 0.00 0.00 -0.040 A ATOM 29 C LIG 1 5.369 -0.396 -0.924 0.00 0.00 +0.008 A ATOM 30 C LIG 1 4.088 -0.586 -0.397 0.00 0.00 +0.046 A BRANCH 27 31 ATOM 31 C LIG 1 8.546 -0.495 -1.248 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 8.319 -0.339 -2.724 0.00 0.00 +0.305 C ATOM 33 O LIG 1 7.721 -1.115 -3.451 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 8.874 0.780 -3.225 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 8.659 0.747 -4.181 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11