REMARK Name = BDB008382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.684 0.186 -0.432 0.00 0.00 -0.278 N ATOM 2 H LIG 1 1.177 -0.326 0.302 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 1.450 0.722 -1.445 0.00 0.00 +0.251 C ATOM 4 O LIG 1 1.017 1.362 -2.397 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 6 ATOM 5 C LIG 1 -1.243 -0.399 0.884 0.00 0.00 +0.143 A ATOM 6 C LIG 1 -0.716 0.242 -0.254 0.00 0.00 +0.077 A ATOM 7 C LIG 1 -1.583 0.889 -1.133 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -2.968 0.902 -0.888 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -3.497 0.261 0.249 0.00 0.00 +0.075 A ATOM 10 N LIG 1 -4.814 0.249 0.521 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -5.645 0.879 -0.339 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -5.223 1.534 -1.479 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -3.861 1.544 -1.756 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -2.623 -0.379 1.116 0.00 0.00 +0.075 A BRANCH 5 16 ATOM 15 C LIG 1 -0.814 -1.672 2.859 0.00 0.00 +0.277 C ATOM 16 O LIG 1 -0.320 -1.013 1.699 0.00 0.00 -0.493 OA ENDBRANCH 5 16 ENDBRANCH 1 6 BRANCH 3 17 ATOM 17 C LIG 1 2.892 0.471 -1.317 0.00 0.00 +0.070 A ATOM 18 C LIG 1 3.576 -0.252 -0.279 0.00 0.00 +0.093 A ATOM 19 C LIG 1 4.954 -0.294 -0.475 0.00 0.00 +0.056 A ATOM 20 C LIG 1 5.744 -0.960 0.449 0.00 0.00 +0.129 A ATOM 21 N LIG 1 5.164 -1.549 1.513 0.00 0.00 -0.243 NA ATOM 22 C LIG 1 3.831 -1.461 1.627 0.00 0.00 +0.221 A ATOM 23 S LIG 1 5.412 0.534 -1.901 0.00 0.00 -0.093 S ATOM 24 N LIG 1 2.983 -0.845 0.794 0.00 0.00 -0.234 NA ATOM 25 C LIG 1 3.795 0.945 -2.255 0.00 0.00 +0.061 A ENDBRANCH 3 17 TORSDOF 3