REMARK Name = BDB063975 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.325 -0.011 -1.026 0.00 0.00 +0.188 C ATOM 2 N LIG 1 0.081 0.885 -1.953 0.00 0.00 -0.253 N ATOM 3 H LIG 1 0.999 1.004 -2.341 0.00 0.00 +0.158 HD ATOM 4 C LIG 1 -0.986 1.627 -2.344 0.00 0.00 +0.269 C ATOM 5 O LIG 1 -1.025 2.526 -3.159 0.00 0.00 -0.268 OA ATOM 6 C LIG 1 -2.087 1.058 -1.521 0.00 0.00 +0.130 C ATOM 7 C LIG 1 -3.337 1.534 -1.587 0.00 0.00 +0.041 C ATOM 8 N LIG 1 -1.589 0.043 -0.733 0.00 0.00 -0.213 NA ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -4.499 1.064 -0.813 0.00 0.00 -0.022 A ATOM 10 C LIG 1 -4.685 -0.289 -0.490 0.00 0.00 +0.025 A ATOM 11 C LIG 1 -5.838 -0.666 0.223 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -6.808 0.262 0.606 0.00 0.00 +0.078 A ATOM 13 N LIG 1 -7.888 -0.256 1.301 0.00 0.00 -0.247 NA ATOM 14 C LIG 1 -7.735 -1.553 1.440 0.00 0.00 +0.157 A ATOM 15 C LIG 1 -6.619 1.614 0.261 0.00 0.00 +0.029 A ATOM 16 S LIG 1 -6.319 -2.232 0.760 0.00 0.00 -0.075 S ATOM 17 C LIG 1 -5.473 1.999 -0.448 0.00 0.00 +0.010 A ENDBRANCH 7 9 BRANCH 1 18 ATOM 18 N LIG 1 0.525 -0.900 -0.449 0.00 0.00 -0.304 N ATOM 19 H LIG 1 0.070 -1.354 0.344 0.00 0.00 +0.150 HD BRANCH 18 20 ATOM 20 C LIG 1 1.946 -0.619 -0.203 0.00 0.00 +0.186 C BRANCH 20 21 ATOM 21 C LIG 1 2.078 0.472 0.864 0.00 0.00 +0.328 C ATOM 22 O LIG 1 1.808 0.322 2.050 0.00 0.00 -0.249 OA BRANCH 21 24 ATOM 23 C LIG 1 2.612 2.724 1.216 0.00 0.00 +0.280 C ATOM 24 O LIG 1 2.494 1.640 0.294 0.00 0.00 -0.467 OA ENDBRANCH 21 24 ENDBRANCH 20 21 BRANCH 20 25 ATOM 25 C LIG 1 2.651 -1.903 0.265 0.00 0.00 +0.069 C BRANCH 25 26 ATOM 26 C LIG 1 4.155 -1.763 0.289 0.00 0.00 -0.045 A ATOM 27 C LIG 1 4.902 -1.942 -0.883 0.00 0.00 +0.004 A ATOM 28 C LIG 1 6.289 -1.785 -0.867 0.00 0.00 +0.000 A ATOM 29 C LIG 1 6.939 -1.446 0.318 0.00 0.00 +0.000 A ATOM 30 C LIG 1 6.205 -1.267 1.488 0.00 0.00 +0.000 A ATOM 31 C LIG 1 4.819 -1.424 1.475 0.00 0.00 +0.004 A ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 7