REMARK Name = BDB015006 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.705 -2.224 -0.621 0.00 0.00 +0.000 A ATOM 2 C LIG 1 1.589 -2.075 -1.451 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.518 -1.271 -1.053 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.550 -0.632 0.186 0.00 0.00 +0.121 A ATOM 5 C LIG 1 1.667 -0.763 1.009 0.00 0.00 +0.046 A ATOM 6 C LIG 1 2.738 -1.567 0.614 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 N LIG 1 4.860 -2.606 -1.853 0.00 0.00 -0.259 N ATOM 8 C LIG 1 3.832 -3.041 -1.044 0.00 0.00 +0.069 A ATOM 9 C LIG 1 4.138 -4.352 -0.739 0.00 0.00 +0.049 A ATOM 10 C LIG 1 5.336 -4.622 -1.420 0.00 0.00 +0.135 A ATOM 11 N LIG 1 5.777 -3.571 -2.112 0.00 0.00 -0.179 NA BRANCH 7 12 ATOM 12 C LIG 1 5.022 -1.290 -2.462 0.00 0.00 +0.179 C BRANCH 12 16 ATOM 13 C LIG 1 6.647 1.605 0.317 0.00 0.00 +0.120 A ATOM 14 C LIG 1 7.422 0.527 -0.108 0.00 0.00 +0.046 A ATOM 15 C LIG 1 6.895 -0.408 -1.007 0.00 0.00 +0.009 A ATOM 16 C LIG 1 5.586 -0.279 -1.493 0.00 0.00 -0.026 A ATOM 17 C LIG 1 4.815 0.808 -1.065 0.00 0.00 +0.009 A ATOM 18 C LIG 1 5.344 1.738 -0.166 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 8.358 2.491 1.707 0.00 0.00 +0.277 C ATOM 20 O LIG 1 7.038 2.584 1.188 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 12 16 ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 4 21 ATOM 21 O LIG 1 -0.438 0.204 0.622 0.00 0.00 -0.489 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.767 -0.346 0.555 0.00 0.00 +0.261 C BRANCH 22 23 ATOM 23 C LIG 1 -2.670 0.610 -0.237 0.00 0.00 +0.166 C BRANCH 23 24 ATOM 24 O LIG 1 -2.327 0.536 -1.633 0.00 0.00 -0.387 OA ATOM 25 H LIG 1 -2.763 1.286 -2.075 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.167 0.256 -0.091 0.00 0.00 +0.119 C BRANCH 26 27 ATOM 27 N LIG 1 -4.702 0.282 1.281 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -6.103 -0.188 1.317 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -7.126 0.824 0.845 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -6.843 2.203 0.867 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.821 3.120 0.460 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -9.079 2.675 0.054 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -9.368 1.313 0.048 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.473 2.691 1.265 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -8.399 0.391 0.446 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.628 1.599 1.937 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 10