REMARK Name = BDB048575 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.722 -2.803 0.155 0.00 0.00 +0.109 A ATOM 2 C LIG 1 1.855 -2.333 -1.149 0.00 0.00 +0.030 A ATOM 3 C LIG 1 0.836 -1.555 -1.708 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.344 -1.276 -1.001 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.445 -1.744 0.316 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.570 -2.518 0.890 0.00 0.00 +0.030 A ENDROOT BRANCH 1 7 ATOM 7 S LIG 1 2.993 -3.815 0.867 0.00 0.00 +0.076 S ATOM 8 O LIG 1 2.379 -4.591 1.927 0.00 0.00 -0.150 OA ATOM 9 O LIG 1 3.729 -4.471 -0.189 0.00 0.00 -0.150 OA BRANCH 7 13 ATOM 10 N LIG 1 5.445 -1.005 1.918 0.00 0.00 -0.298 N ATOM 11 H LIG 1 5.340 -1.182 2.904 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 4.728 -1.748 1.026 0.00 0.00 +0.319 C ATOM 13 N LIG 1 3.969 -2.722 1.647 0.00 0.00 -0.169 N ATOM 14 H LIG 1 3.963 -2.835 2.651 0.00 0.00 +0.178 HD ATOM 15 O LIG 1 4.737 -1.561 -0.179 0.00 0.00 -0.251 OA BRANCH 10 16 ATOM 16 C LIG 1 6.259 0.117 1.498 0.00 0.00 +0.106 C BRANCH 16 17 ATOM 17 C LIG 1 5.422 1.387 1.347 0.00 0.00 +0.018 C BRANCH 17 19 ATOM 18 C LIG 1 6.940 2.569 -0.326 0.00 0.00 +0.004 C ATOM 19 C LIG 1 6.258 2.628 1.032 0.00 0.00 -0.002 C ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 10 16 ENDBRANCH 7 13 ENDBRANCH 1 7 BRANCH 4 20 ATOM 20 N LIG 1 -1.295 -0.441 -1.589 0.00 0.00 -0.335 N ATOM 21 H LIG 1 -1.237 -0.432 -2.611 0.00 0.00 +0.147 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.697 -0.531 -1.154 0.00 0.00 +0.198 C BRANCH 22 23 ATOM 23 C LIG 1 -3.598 0.186 -2.177 0.00 0.00 +0.237 C ATOM 24 N LIG 1 -4.704 0.901 -1.726 0.00 0.00 -0.260 N ATOM 25 C LIG 1 -5.448 0.681 -0.528 0.00 0.00 +0.058 A ATOM 26 C LIG 1 -6.244 1.724 -0.018 0.00 0.00 +0.055 A ATOM 27 C LIG 1 -6.942 1.579 1.185 0.00 0.00 +0.025 A ATOM 28 C LIG 1 -6.896 0.369 1.873 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -6.165 -0.693 1.351 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -6.352 2.940 -0.697 0.00 0.00 -0.283 N ATOM 31 H LIG 1 -6.871 3.712 -0.298 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -5.854 3.141 -1.953 0.00 0.00 +0.235 C ATOM 33 O LIG 1 -6.040 4.211 -2.530 0.00 0.00 -0.274 OA ATOM 34 C LIG 1 -5.453 -0.540 0.155 0.00 0.00 +0.025 A ATOM 35 C LIG 1 -5.206 1.942 -2.628 0.00 0.00 +0.209 C ATOM 36 O LIG 1 -3.276 0.184 -3.374 0.00 0.00 -0.274 OA ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 4 20 TORSDOF 8