REMARK Name = BDB048202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.669 0.050 -0.379 0.00 0.00 -0.293 N ATOM 2 C LIG 1 0.840 0.303 0.722 0.00 0.00 +0.252 C ATOM 3 O LIG 1 1.198 0.197 1.893 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 6 ATOM 4 C LIG 1 5.366 0.580 0.564 0.00 0.00 +0.113 C ATOM 5 C LIG 1 3.866 0.890 0.460 0.00 0.00 +0.039 C ATOM 6 C LIG 1 3.092 -0.291 -0.142 0.00 0.00 +0.091 C ATOM 7 C LIG 1 3.324 -1.583 0.690 0.00 0.00 +0.103 C ATOM 8 N LIG 1 4.654 -1.708 1.307 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 4.599 -1.374 2.275 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 5.674 -0.925 0.608 0.00 0.00 +0.095 C BRANCH 4 11 ATOM 11 C LIG 1 5.952 1.297 1.764 0.00 0.00 +0.311 C ATOM 12 O LIG 1 6.226 0.775 2.836 0.00 0.00 -0.251 OA BRANCH 11 14 ATOM 13 C LIG 1 6.636 3.390 2.561 0.00 0.00 +0.280 C ATOM 14 O LIG 1 6.113 2.621 1.477 0.00 0.00 -0.468 OA ENDBRANCH 11 14 ENDBRANCH 4 11 ENDBRANCH 1 6 BRANCH 2 15 ATOM 15 C LIG 1 -0.544 0.730 0.514 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -1.621 -0.071 0.861 0.00 0.00 +0.135 A ATOM 17 N LIG 1 -2.880 0.364 0.665 0.00 0.00 -0.216 NA ATOM 18 C LIG 1 -3.077 1.609 0.181 0.00 0.00 +0.136 A ATOM 19 N LIG 1 -2.078 2.454 -0.133 0.00 0.00 -0.239 NA ATOM 20 C LIG 1 -0.826 1.998 0.063 0.00 0.00 +0.129 A BRANCH 18 21 ATOM 21 C LIG 1 -4.518 2.039 -0.083 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -5.016 1.325 -1.351 0.00 0.00 +0.019 C ATOM 23 C LIG 1 -5.413 1.650 1.110 0.00 0.00 +0.019 C ATOM 24 C LIG 1 -4.630 3.562 -0.289 0.00 0.00 +0.019 C ENDBRANCH 18 21 BRANCH 16 25 ATOM 25 N LIG 1 -1.408 -1.381 1.337 0.00 0.00 -0.321 N ATOM 26 H LIG 1 -0.693 -1.342 2.066 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.603 -2.084 1.816 0.00 0.00 +0.177 C BRANCH 27 28 ATOM 28 C LIG 1 -3.468 -2.711 0.773 0.00 0.00 +0.122 A ATOM 29 O LIG 1 -4.686 -3.168 1.191 0.00 0.00 -0.466 OA ATOM 30 C LIG 1 -5.307 -3.695 0.105 0.00 0.00 +0.195 A ATOM 31 C LIG 1 -4.505 -3.591 -1.007 0.00 0.00 +0.041 A ATOM 32 C LIG 1 -3.315 -2.960 -0.577 0.00 0.00 +0.046 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 16 25 ENDBRANCH 2 15 BRANCH 1 33 ATOM 33 C LIG 1 1.222 0.136 -1.781 0.00 0.00 +0.111 C BRANCH 33 34 ATOM 34 C LIG 1 0.338 -1.035 -2.250 0.00 0.00 +0.000 C ATOM 35 C LIG 1 1.057 -2.380 -2.171 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.134 -0.780 -3.683 0.00 0.00 +0.009 C ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 10