REMARK Name = BDB063077 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.844 -0.886 -0.841 0.00 0.00 +0.104 C ATOM 2 C LIG 1 0.208 -0.140 0.368 0.00 0.00 +0.119 C ATOM 3 C LIG 1 -1.232 -0.546 0.545 0.00 0.00 +0.091 A ATOM 4 C LIG 1 -1.927 -1.129 -0.435 0.00 0.00 +0.213 A ATOM 5 N LIG 1 -3.239 -1.453 -0.288 0.00 0.00 -0.278 N ATOM 6 H LIG 1 -3.736 -1.906 -1.046 0.00 0.00 +0.173 HD ATOM 7 C LIG 1 -3.952 -1.202 0.848 0.00 0.00 +0.329 A ATOM 8 N LIG 1 -3.260 -0.585 1.851 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -3.744 -0.458 2.727 0.00 0.00 +0.173 HD ATOM 10 O LIG 1 -5.129 -1.525 0.964 0.00 0.00 -0.247 OA ATOM 11 O LIG 1 -1.366 -1.450 -1.651 0.00 0.00 -0.427 OA ATOM 12 C LIG 1 -1.915 -0.332 1.837 0.00 0.00 +0.262 A ATOM 13 O LIG 1 -1.313 0.018 2.845 0.00 0.00 -0.267 OA ATOM 14 C LIG 1 0.021 -1.455 -1.759 0.00 0.00 +0.228 C ENDROOT BRANCH 2 15 ATOM 15 C LIG 1 0.341 1.379 0.255 0.00 0.00 +0.003 A ATOM 16 S LIG 1 1.050 2.282 1.533 0.00 0.00 -0.101 S ATOM 17 C LIG 1 0.828 3.759 0.704 0.00 0.00 +0.045 A ATOM 18 C LIG 1 0.225 3.580 -0.520 0.00 0.00 +0.008 A ATOM 19 C LIG 1 -0.058 2.208 -0.780 0.00 0.00 +0.012 A ENDBRANCH 2 15 BRANCH 1 20 ATOM 20 N LIG 1 2.239 -0.972 -0.886 0.00 0.00 -0.265 N ATOM 21 H LIG 1 2.640 -1.199 -1.800 0.00 0.00 +0.194 HD BRANCH 20 23 ATOM 22 C LIG 1 3.958 -0.770 0.579 0.00 0.00 +0.229 C ATOM 23 O LIG 1 3.003 -0.040 -0.188 0.00 0.00 -0.277 OA ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 14 24 ATOM 24 C LIG 1 0.533 -2.126 -2.908 0.00 0.00 +0.140 C ATOM 25 N LIG 1 0.978 -2.661 -3.837 0.00 0.00 -0.188 NA ENDBRANCH 14 24 TORSDOF 4