REMARK Name = BDB063923 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.494 -1.462 0.232 0.00 0.00 +0.188 C ATOM 2 N LIG 1 0.641 -2.701 0.752 0.00 0.00 -0.253 N ATOM 3 H LIG 1 -0.075 -3.309 1.098 0.00 0.00 +0.158 HD ATOM 4 C LIG 1 1.942 -3.071 0.649 0.00 0.00 +0.269 C ATOM 5 O LIG 1 2.459 -4.120 0.977 0.00 0.00 -0.268 OA ATOM 6 C LIG 1 2.564 -1.875 0.022 0.00 0.00 +0.130 C ATOM 7 C LIG 1 3.873 -1.820 -0.256 0.00 0.00 +0.041 C ATOM 8 N LIG 1 1.593 -0.926 -0.210 0.00 0.00 -0.213 NA ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 4.593 -0.700 -0.884 0.00 0.00 -0.022 A ATOM 10 C LIG 1 4.255 0.640 -0.635 0.00 0.00 +0.025 A ATOM 11 C LIG 1 5.011 1.657 -1.245 0.00 0.00 +0.039 A ATOM 12 C LIG 1 6.095 1.375 -2.078 0.00 0.00 +0.078 A ATOM 13 N LIG 1 6.745 2.480 -2.606 0.00 0.00 -0.247 NA ATOM 14 C LIG 1 6.160 3.574 -2.178 0.00 0.00 +0.157 A ATOM 15 C LIG 1 6.436 0.029 -2.307 0.00 0.00 +0.029 A ATOM 16 S LIG 1 4.820 3.367 -1.133 0.00 0.00 -0.075 S ATOM 17 C LIG 1 5.687 -0.991 -1.705 0.00 0.00 +0.010 A ENDBRANCH 7 9 BRANCH 1 18 ATOM 18 N LIG 1 -0.707 -0.830 0.170 0.00 0.00 -0.312 N ATOM 19 H LIG 1 -0.549 0.147 -0.086 0.00 0.00 +0.149 HD BRANCH 18 20 ATOM 20 C LIG 1 -1.759 -0.932 1.182 0.00 0.00 +0.099 C BRANCH 20 21 ATOM 21 C LIG 1 -2.631 -2.192 1.010 0.00 0.00 +0.027 C BRANCH 21 23 ATOM 22 C LIG 1 -3.726 -3.998 -0.346 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -2.916 -2.698 -0.421 0.00 0.00 -0.015 C ATOM 24 C LIG 1 -3.656 -1.690 -1.296 0.00 0.00 +0.007 C ENDBRANCH 21 23 ENDBRANCH 20 21 BRANCH 20 25 ATOM 25 C LIG 1 -2.605 0.364 1.181 0.00 0.00 +0.182 C BRANCH 25 26 ATOM 26 O LIG 1 -1.726 1.470 1.411 0.00 0.00 -0.372 OA BRANCH 26 27 ATOM 27 C LIG 1 -2.290 2.788 1.326 0.00 0.00 +0.061 C ATOM 28 C LIG 1 -2.717 3.113 -0.110 0.00 0.00 +0.041 C ATOM 29 C LIG 1 -1.151 3.735 1.728 0.00 0.00 +0.041 C ATOM 30 C LIG 1 -3.458 2.975 2.300 0.00 0.00 +0.041 C ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 8