REMARK Name = BDB048724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.199 -0.160 -0.127 0.00 0.00 -0.026 A ATOM 2 C LIG 1 1.924 -0.057 0.452 0.00 0.00 +0.009 A ATOM 3 C LIG 1 0.776 0.037 -0.344 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.884 0.032 -1.733 0.00 0.00 +0.121 A ATOM 5 C LIG 1 2.148 -0.064 -2.317 0.00 0.00 +0.046 A ATOM 6 C LIG 1 3.297 -0.156 -1.526 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 7.294 1.861 2.140 0.00 0.00 +0.059 C ATOM 8 C LIG 1 6.188 0.839 2.047 0.00 0.00 +0.026 C ATOM 9 C LIG 1 5.080 1.106 1.059 0.00 0.00 +0.164 C ATOM 10 C LIG 1 4.457 -0.241 0.717 0.00 0.00 +0.124 C ATOM 11 N LIG 1 4.268 -1.038 1.899 0.00 0.00 -0.290 N ATOM 12 H LIG 1 3.681 -1.862 1.867 0.00 0.00 +0.151 HD ATOM 13 C LIG 1 5.255 -1.133 2.836 0.00 0.00 +0.324 C ATOM 14 O LIG 1 5.217 -2.056 3.641 0.00 0.00 -0.251 OA ATOM 15 N LIG 1 6.250 -0.197 2.821 0.00 0.00 -0.172 NA BRANCH 9 16 ATOM 16 C LIG 1 4.092 2.107 1.592 0.00 0.00 +0.315 C ATOM 17 O LIG 1 3.661 2.186 2.729 0.00 0.00 -0.250 OA BRANCH 16 18 ATOM 18 O LIG 1 3.694 2.989 0.652 0.00 0.00 -0.480 OA ATOM 19 H LIG 1 3.030 3.552 1.108 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 9 16 ENDBRANCH 1 10 BRANCH 4 20 ATOM 20 O LIG 1 -0.151 0.114 -2.623 0.00 0.00 -0.489 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.463 0.235 -2.071 0.00 0.00 +0.270 C BRANCH 21 22 ATOM 22 C LIG 1 -2.475 0.301 -3.214 0.00 0.00 +0.270 C BRANCH 22 23 ATOM 23 O LIG 1 -3.808 0.538 -2.737 0.00 0.00 -0.488 OA BRANCH 23 24 ATOM 24 C LIG 1 -4.405 -0.621 -2.293 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -4.658 -0.817 -0.916 0.00 0.00 +0.049 A ATOM 26 C LIG 1 -5.245 -2.021 -0.521 0.00 0.00 +0.051 A ATOM 27 N LIG 1 -5.349 -1.990 0.850 0.00 0.00 -0.354 N ATOM 28 H LIG 1 -5.737 -2.734 1.411 0.00 0.00 +0.166 HD ATOM 29 C LIG 1 -4.868 -0.806 1.356 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -4.786 -0.359 2.681 0.00 0.00 +0.026 A ATOM 31 C LIG 1 -4.260 0.917 2.903 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -3.840 1.714 1.842 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -3.929 1.249 0.525 0.00 0.00 +0.011 A ATOM 34 C LIG 1 -5.625 -3.016 -1.429 0.00 0.00 +0.026 A ATOM 35 C LIG 1 -5.409 -2.773 -2.789 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -4.444 -0.040 0.271 0.00 0.00 +0.011 A ATOM 37 C LIG 1 -4.813 -1.590 -3.219 0.00 0.00 +0.046 A ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 8