REMARK Name = BDB048772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.552 -0.300 -0.540 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -2.888 -0.000 -0.697 0.00 0.00 +0.129 A ATOM 3 O LIG 1 -3.580 -1.178 -0.743 0.00 0.00 -0.440 OA ATOM 4 C LIG 1 -2.617 -2.146 -0.613 0.00 0.00 +0.228 A ATOM 5 N LIG 1 -1.393 -1.667 -0.484 0.00 0.00 -0.214 NA ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -3.068 -3.534 -0.629 0.00 0.00 +0.037 A ATOM 7 C LIG 1 -2.130 -4.569 -0.496 0.00 0.00 +0.013 A ATOM 8 C LIG 1 -2.532 -5.908 -0.507 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -3.880 -6.228 -0.651 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -4.825 -5.213 -0.785 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -4.422 -3.875 -0.774 0.00 0.00 +0.013 A ENDBRANCH 4 6 BRANCH 1 12 ATOM 12 C LIG 1 -0.382 0.603 -0.422 0.00 0.00 +0.100 C BRANCH 12 13 ATOM 13 C LIG 1 0.140 0.677 1.011 0.00 0.00 +0.235 C BRANCH 13 14 ATOM 14 O LIG 1 1.249 1.574 1.102 0.00 0.00 -0.492 OA BRANCH 14 19 ATOM 15 C LIG 1 6.528 -0.212 0.219 0.00 0.00 +0.030 C ATOM 16 C LIG 1 5.177 0.383 0.512 0.00 0.00 -0.040 A ATOM 17 C LIG 1 4.158 -0.551 0.296 0.00 0.00 -0.040 A ATOM 18 C LIG 1 2.821 -0.217 0.468 0.00 0.00 +0.049 A ATOM 19 C LIG 1 2.506 1.079 0.886 0.00 0.00 +0.121 A ATOM 20 C LIG 1 3.537 2.011 1.108 0.00 0.00 +0.046 A ATOM 21 C LIG 1 4.718 -1.860 -0.166 0.00 0.00 +0.036 C ATOM 22 C LIG 1 4.880 1.671 0.921 0.00 0.00 +0.008 A ATOM 23 C LIG 1 6.186 -1.720 0.266 0.00 0.00 +0.013 C BRANCH 15 24 ATOM 24 C LIG 1 7.051 0.247 -1.140 0.00 0.00 +0.128 C BRANCH 24 26 ATOM 25 O LIG 1 8.824 -1.208 -1.885 0.00 0.00 -0.251 OA ATOM 26 C LIG 1 8.483 -0.177 -1.325 0.00 0.00 +0.305 C BRANCH 26 27 ATOM 27 O LIG 1 9.374 0.682 -0.783 0.00 0.00 -0.481 OA ATOM 28 H LIG 1 8.972 1.468 -0.368 0.00 0.00 +0.295 HD ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 15 24 ENDBRANCH 14 19 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 1 12 BRANCH 2 29 ATOM 29 C LIG 1 -3.676 1.249 -0.809 0.00 0.00 +0.081 C BRANCH 29 30 ATOM 30 C LIG 1 -4.127 1.742 0.567 0.00 0.00 +0.043 C BRANCH 30 31 ATOM 31 C LIG 1 -4.896 3.036 0.470 0.00 0.00 -0.047 A ATOM 32 C LIG 1 -4.231 4.266 0.566 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -4.941 5.463 0.455 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.318 5.441 0.243 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.987 4.223 0.141 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.280 3.025 0.252 0.00 0.00 +0.003 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 11