REMARK Name = BDB064407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.712 -1.362 -0.438 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.684 -1.786 0.379 0.00 0.00 -0.310 N ATOM 3 H LIG 1 -0.671 -1.505 1.350 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -1.714 -1.534 -1.655 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 9 ATOM 5 O LIG 1 -5.117 1.770 -0.803 0.00 0.00 -0.276 OA ATOM 6 C LIG 1 -4.320 1.078 -0.197 0.00 0.00 +0.214 C ATOM 7 N LIG 1 -3.840 -0.142 -0.609 0.00 0.00 -0.304 N ATOM 8 H LIG 1 -4.051 -0.523 -1.525 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 -2.893 -0.719 0.308 0.00 0.00 +0.159 C ATOM 10 C LIG 1 -2.497 0.464 1.182 0.00 0.00 +0.041 C ATOM 11 C LIG 1 -3.719 1.379 1.150 0.00 0.00 +0.098 C ENDBRANCH 1 9 BRANCH 2 12 ATOM 12 C LIG 1 0.546 -2.312 -0.170 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 1.587 -1.225 -0.271 0.00 0.00 -0.030 A ATOM 14 C LIG 1 2.530 -1.040 0.753 0.00 0.00 +0.007 A ATOM 15 C LIG 1 3.473 -0.015 0.666 0.00 0.00 +0.030 A ATOM 16 C LIG 1 3.468 0.828 -0.448 0.00 0.00 +0.122 A ATOM 17 C LIG 1 2.532 0.670 -1.470 0.00 0.00 +0.030 A ATOM 18 C LIG 1 1.593 -0.358 -1.377 0.00 0.00 +0.007 A BRANCH 16 19 ATOM 19 S LIG 1 4.649 2.139 -0.536 0.00 0.00 +0.147 S ATOM 20 F LIG 1 4.202 3.087 -1.734 0.00 0.00 -0.056 F ATOM 21 O LIG 1 4.505 2.938 0.664 0.00 0.00 -0.138 OA ATOM 22 O LIG 1 5.913 1.561 -0.941 0.00 0.00 -0.138 OA ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 2 12 TORSDOF 4