REMARK Name = BDB003255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.148 -0.551 1.722 0.00 0.00 +0.181 A ATOM 2 N LIG 1 -0.576 0.680 1.405 0.00 0.00 -0.193 NA ATOM 3 C LIG 1 -1.500 0.776 0.448 0.00 0.00 +0.222 A ATOM 4 N LIG 1 -2.002 -0.302 -0.175 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -1.600 -1.536 0.176 0.00 0.00 +0.129 A ATOM 6 C LIG 1 -0.638 -1.696 1.143 0.00 0.00 +0.093 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.981 2.039 0.100 0.00 0.00 -0.295 N ATOM 8 C LIG 1 -1.089 3.151 0.466 0.00 0.00 +0.136 C ATOM 9 C LIG 1 -1.752 4.494 0.127 0.00 0.00 +0.179 C ATOM 10 O LIG 1 -2.149 4.551 -1.253 0.00 0.00 -0.377 OA ATOM 11 C LIG 1 -3.103 3.514 -1.528 0.00 0.00 +0.179 C ATOM 12 C LIG 1 -2.511 2.120 -1.271 0.00 0.00 +0.136 C ENDBRANCH 3 7 BRANCH 5 13 ATOM 13 N LIG 1 -2.134 -2.631 -0.496 0.00 0.00 -0.311 N ATOM 14 C LIG 1 -3.056 -2.331 -1.605 0.00 0.00 +0.134 C ATOM 15 C LIG 1 -3.492 -3.644 -2.274 0.00 0.00 +0.178 C ATOM 16 O LIG 1 -4.177 -4.548 -1.393 0.00 0.00 -0.377 OA ATOM 17 C LIG 1 -3.886 -4.322 -0.008 0.00 0.00 +0.178 C ATOM 18 C LIG 1 -2.440 -3.865 0.254 0.00 0.00 +0.134 C ENDBRANCH 5 13 BRANCH 1 20 ATOM 19 N LIG 1 1.972 -0.180 2.542 0.00 0.00 -0.181 NA ATOM 20 N LIG 1 0.824 -0.651 2.735 0.00 0.00 -0.134 NA BRANCH 19 21 ATOM 21 C LIG 1 2.379 0.397 1.245 0.00 0.00 +0.205 C BRANCH 21 25 ATOM 22 C LIG 1 6.648 0.787 0.718 0.00 0.00 +0.120 A ATOM 23 C LIG 1 6.150 -0.322 1.388 0.00 0.00 +0.091 A ATOM 24 C LIG 1 4.778 -0.442 1.593 0.00 0.00 +0.125 A ATOM 25 C LIG 1 3.884 0.533 1.129 0.00 0.00 +0.017 A ATOM 26 C LIG 1 4.413 1.641 0.441 0.00 0.00 +0.012 A ATOM 27 C LIG 1 5.791 1.774 0.243 0.00 0.00 +0.046 A BRANCH 22 28 ATOM 28 O LIG 1 7.997 0.875 0.540 0.00 0.00 -0.507 OA ATOM 29 H LIG 1 8.197 1.699 0.067 0.00 0.00 +0.292 HD ENDBRANCH 22 28 BRANCH 24 30 ATOM 30 O LIG 1 4.361 -1.557 2.267 0.00 0.00 -0.506 OA ATOM 31 H LIG 1 3.474 -1.375 2.630 0.00 0.00 +0.292 HD ENDBRANCH 24 30 ENDBRANCH 21 25 ENDBRANCH 19 21 ENDBRANCH 1 20 TORSDOF 7