REMARK Name = BDB019577 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.035 -0.882 0.193 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.581 -0.018 1.107 0.00 0.00 +0.021 A ATOM 3 C LIG 1 1.793 0.612 0.786 0.00 0.00 -0.015 A ATOM 4 C LIG 1 2.385 0.350 -0.459 0.00 0.00 +0.013 A ATOM 5 C LIG 1 1.804 -0.543 -1.373 0.00 0.00 -0.029 A ATOM 6 C LIG 1 0.584 -1.148 -1.035 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 2.442 1.513 1.744 0.00 0.00 +0.003 A ATOM 8 C LIG 1 2.160 2.888 1.816 0.00 0.00 +0.049 A ATOM 9 C LIG 1 1.164 3.534 0.893 0.00 0.00 +0.066 C ATOM 10 N LIG 1 2.757 3.720 2.709 0.00 0.00 -0.224 NA ATOM 11 C LIG 1 3.661 3.182 3.551 0.00 0.00 +0.213 A ATOM 12 F LIG 1 4.253 4.001 4.432 0.00 0.00 -0.184 F ATOM 13 C LIG 1 4.010 1.846 3.558 0.00 0.00 +0.060 A ATOM 14 C LIG 1 3.391 1.002 2.641 0.00 0.00 +0.014 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 -2.164 -0.905 1.385 0.00 0.00 -0.307 N ATOM 16 H LIG 1 -1.975 0.059 1.617 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 -1.335 -1.549 0.490 0.00 0.00 +0.244 C ATOM 18 O LIG 1 -1.634 -2.593 -0.080 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 -3.514 -1.367 1.625 0.00 0.00 +0.139 C BRANCH 19 23 ATOM 20 C LIG 1 -5.839 -0.298 -2.711 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -5.631 -0.025 -1.251 0.00 0.00 -0.050 A ATOM 22 C LIG 1 -4.735 -0.802 -0.508 0.00 0.00 +0.008 A ATOM 23 C LIG 1 -4.504 -0.536 0.849 0.00 0.00 -0.030 A ATOM 24 C LIG 1 -5.171 0.538 1.456 0.00 0.00 +0.008 A ATOM 25 C LIG 1 -6.072 1.325 0.729 0.00 0.00 -0.050 A ATOM 26 C LIG 1 -6.755 2.493 1.377 0.00 0.00 +0.044 C ATOM 27 C LIG 1 -6.283 1.047 -0.628 0.00 0.00 +0.006 A ENDBRANCH 19 23 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 2.426 -0.816 -2.725 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 N LIG 1 3.879 -0.832 -2.677 0.00 0.00 -0.313 N ATOM 30 H LIG 1 4.297 -0.431 -3.507 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 4.544 -1.937 -2.269 0.00 0.00 +0.176 C ATOM 32 N LIG 1 5.888 -1.858 -2.458 0.00 0.00 -0.316 N ATOM 33 H LIG 1 6.272 -0.951 -2.224 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 6.477 -2.968 -1.734 0.00 0.00 +0.127 C ATOM 35 C LIG 1 5.259 -3.867 -1.505 0.00 0.00 +0.163 C ATOM 36 N LIG 1 4.063 -3.010 -1.721 0.00 0.00 -0.255 NA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7