REMARK Name = BDB048205 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.189 0.668 -0.428 0.00 0.00 +0.252 C ATOM 2 N LIG 1 -1.645 0.538 0.896 0.00 0.00 -0.293 N ATOM 3 O LIG 1 -1.622 1.512 -1.214 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.879 1.289 1.232 0.00 0.00 +0.091 C ATOM 5 C LIG 1 -4.122 0.501 0.791 0.00 0.00 +0.039 C ATOM 6 C LIG 1 -5.392 1.369 0.888 0.00 0.00 +0.113 C ATOM 7 C LIG 1 -5.256 2.490 1.936 0.00 0.00 +0.095 C ATOM 8 N LIG 1 -4.437 2.089 3.078 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 -4.429 2.824 3.786 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -3.060 1.736 2.706 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 -6.640 0.529 1.118 0.00 0.00 +0.311 C ATOM 12 O LIG 1 -7.588 0.846 1.825 0.00 0.00 -0.251 OA BRANCH 11 13 ATOM 13 O LIG 1 -6.605 -0.598 0.348 0.00 0.00 -0.468 OA ATOM 14 C LIG 1 -7.763 -1.426 0.471 0.00 0.00 +0.280 C ENDBRANCH 11 13 ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 16 ATOM 15 C LIG 1 1.042 0.172 -1.442 0.00 0.00 +0.134 A ATOM 16 C LIG 1 -0.188 -0.255 -0.968 0.00 0.00 +0.095 A ATOM 17 C LIG 1 -0.498 -1.583 -1.151 0.00 0.00 +0.129 A ATOM 18 N LIG 1 0.358 -2.482 -1.673 0.00 0.00 -0.239 NA ATOM 19 C LIG 1 1.555 -2.008 -2.066 0.00 0.00 +0.136 A ATOM 20 N LIG 1 1.919 -0.712 -1.959 0.00 0.00 -0.216 NA BRANCH 19 21 ATOM 21 C LIG 1 2.596 -2.992 -2.595 0.00 0.00 +0.022 C ATOM 22 C LIG 1 1.940 -4.293 -3.098 0.00 0.00 +0.019 C ATOM 23 C LIG 1 3.568 -3.329 -1.453 0.00 0.00 +0.019 C ATOM 24 C LIG 1 3.378 -2.368 -3.767 0.00 0.00 +0.019 C ENDBRANCH 19 21 BRANCH 15 25 ATOM 25 N LIG 1 1.419 1.524 -1.320 0.00 0.00 -0.328 N ATOM 26 H LIG 1 0.643 2.103 -1.651 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 2.693 1.905 -1.922 0.00 0.00 +0.105 C BRANCH 27 28 ATOM 28 C LIG 1 3.855 1.619 -0.974 0.00 0.00 +0.047 C BRANCH 28 29 ATOM 29 C LIG 1 5.185 1.997 -1.611 0.00 0.00 +0.161 C BRANCH 29 31 ATOM 30 C LIG 1 7.506 2.061 -1.207 0.00 0.00 +0.193 C ATOM 31 O LIG 1 6.229 1.746 -0.670 0.00 0.00 -0.383 OA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 15 25 ENDBRANCH 1 16 BRANCH 2 32 ATOM 32 C LIG 1 -1.066 -0.392 1.884 0.00 0.00 +0.111 C BRANCH 32 33 ATOM 33 C LIG 1 -0.066 0.262 2.862 0.00 0.00 +0.000 C ATOM 34 C LIG 1 1.199 0.761 2.167 0.00 0.00 +0.009 C ATOM 35 C LIG 1 0.309 -0.741 3.957 0.00 0.00 +0.009 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 12