REMARK Name = BDB002730 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.700 -0.727 -0.846 0.00 0.00 +0.226 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.690 -0.305 -0.833 0.00 0.00 -0.200 N ATOM 3 C LIG 1 -1.454 -0.486 0.302 0.00 0.00 +0.279 A ATOM 4 O LIG 1 -1.059 -1.011 1.339 0.00 0.00 -0.265 OA ATOM 5 C LIG 1 -2.829 -0.003 0.211 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -3.198 0.582 -0.990 0.00 0.00 +0.100 A ATOM 7 C LIG 1 -4.508 1.059 -1.120 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -5.420 0.946 -0.066 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -5.029 0.354 1.134 0.00 0.00 +0.001 A ATOM 10 N LIG 1 -2.318 0.717 -2.069 0.00 0.00 -0.131 NA ATOM 11 C LIG 1 -3.728 -0.124 1.277 0.00 0.00 +0.015 A ATOM 12 N LIG 1 -1.145 0.298 -1.973 0.00 0.00 -0.061 NA ENDBRANCH 1 2 BRANCH 1 13 ATOM 13 S LIG 1 1.796 0.650 -0.379 0.00 0.00 -0.062 S BRANCH 13 17 ATOM 14 C LIG 1 5.470 -0.390 -0.428 0.00 0.00 +0.212 A ATOM 15 N LIG 1 4.468 0.500 -0.174 0.00 0.00 -0.305 N ATOM 16 H LIG 1 4.557 1.438 0.178 0.00 0.00 +0.171 HD ATOM 17 C LIG 1 3.318 -0.129 -0.532 0.00 0.00 +0.192 A ATOM 18 N LIG 1 3.583 -1.332 -0.978 0.00 0.00 -0.121 NA ATOM 19 N LIG 1 4.953 -1.493 -0.919 0.00 0.00 -0.113 NA BRANCH 14 20 ATOM 20 N LIG 1 6.755 -0.090 -0.188 0.00 0.00 -0.328 N ATOM 21 H LIG 1 7.001 0.546 0.563 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 7.394 -0.882 -0.239 0.00 0.00 +0.145 HD ENDBRANCH 14 20 ENDBRANCH 13 17 ENDBRANCH 1 13 TORSDOF 4