REMARK Name = BDB022907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.701 -1.283 -3.977 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -0.719 0.203 -3.600 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -1.238 0.398 -2.234 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -2.610 0.609 -2.087 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -3.337 0.729 -3.076 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -0.340 0.028 -1.129 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.138 0.173 -1.410 0.00 0.00 +0.067 A ATOM 8 C LIG 1 1.594 0.542 -2.659 0.00 0.00 -0.005 A ATOM 9 C LIG 1 2.960 0.640 -2.783 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.819 0.372 -1.783 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 3.293 0.002 -0.611 0.00 0.00 +0.216 A ATOM 12 N LIG 1 1.977 -0.106 -0.387 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 0.655 0.871 -3.773 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.208 0.667 -0.673 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -3.470 -0.765 -0.150 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.830 -1.330 -0.633 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -5.960 -0.407 -0.450 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -7.206 -1.032 -0.895 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -5.728 0.844 -1.176 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -4.473 1.547 -0.661 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -3.261 -0.865 1.361 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -2.096 -1.472 1.861 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -1.864 -1.559 3.236 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.792 -1.043 4.135 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.954 -0.442 3.658 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.186 -0.354 2.283 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 4.105 -0.305 0.471 0.00 0.00 -0.304 N ATOM 28 H LIG 1 3.485 -0.244 1.274 0.00 0.00 +0.150 HD BRANCH 27 29 ATOM 29 CA LIG 1 5.299 0.534 0.600 0.00 0.00 +0.129 C BRANCH 29 30 ATOM 30 C LIG 1 5.645 0.654 2.086 0.00 0.00 -0.025 A ATOM 31 C LIG 1 5.739 -0.479 2.913 0.00 0.00 +0.005 A ATOM 32 C LIG 1 6.054 -0.351 4.266 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.284 0.910 4.812 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.201 2.043 4.005 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.885 1.917 2.651 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 6.496 -0.057 -0.184 0.00 0.00 +0.182 C BRANCH 36 37 ATOM 37 O LIG 1 7.549 0.904 -0.322 0.00 0.00 -0.393 OA ATOM 38 H LIG 1 8.265 0.460 -0.807 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 29 36 ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 7