REMARK Name = BDB037209 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.733 -0.614 1.403 0.00 0.00 +0.281 C ATOM 2 N LIG 1 -1.364 0.489 2.010 0.00 0.00 -0.180 N ATOM 3 H LIG 1 -1.022 1.430 1.843 0.00 0.00 +0.177 HD ATOM 4 O LIG 1 -1.306 -1.669 1.181 0.00 0.00 -0.267 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 2.477 -0.954 -0.373 0.00 0.00 +0.047 A ATOM 6 C LIG 1 3.345 -0.077 0.290 0.00 0.00 -0.005 A ATOM 7 C LIG 1 2.827 0.658 1.370 0.00 0.00 +0.009 A ATOM 8 C LIG 1 1.500 0.502 1.759 0.00 0.00 +0.033 A ATOM 9 C LIG 1 0.712 -0.398 1.056 0.00 0.00 +0.127 A ATOM 10 N LIG 1 1.185 -1.123 0.013 0.00 0.00 -0.247 NA BRANCH 5 12 ATOM 11 C LIG 1 3.436 -3.166 -1.059 0.00 0.00 +0.010 C ATOM 12 C LIG 1 2.899 -1.823 -1.532 0.00 0.00 +0.052 C ENDBRANCH 5 12 BRANCH 6 13 ATOM 13 C LIG 1 4.785 0.126 -0.111 0.00 0.00 +0.180 C BRANCH 13 14 ATOM 14 N LIG 1 4.937 1.261 -1.012 0.00 0.00 -0.267 N ATOM 15 N LIG 1 4.895 1.077 -2.347 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 5.089 2.301 -2.843 0.00 0.00 +0.134 A ATOM 17 C LIG 1 5.276 3.264 -1.836 0.00 0.00 +0.041 A ATOM 18 C LIG 1 5.184 2.559 -0.659 0.00 0.00 +0.108 A ENDBRANCH 13 14 ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 S LIG 1 -2.978 0.511 2.443 0.00 0.00 +0.082 S ATOM 20 O LIG 1 -3.128 -0.469 3.497 0.00 0.00 -0.150 OA ATOM 21 O LIG 1 -3.283 1.908 2.697 0.00 0.00 -0.150 OA BRANCH 19 22 ATOM 22 C LIG 1 -3.841 0.045 0.975 0.00 0.00 +0.191 A ATOM 23 C LIG 1 -3.562 0.725 -0.221 0.00 0.00 +0.150 A ATOM 24 C LIG 1 -4.197 0.351 -1.410 0.00 0.00 +0.048 A ATOM 25 C LIG 1 -5.155 -0.659 -1.401 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -5.470 -1.304 -0.207 0.00 0.00 +0.048 A ATOM 27 C LIG 1 -4.802 -0.969 0.977 0.00 0.00 +0.150 A BRANCH 23 28 ATOM 28 O LIG 1 -2.616 1.720 -0.252 0.00 0.00 -0.493 OA ATOM 29 C LIG 1 -3.208 2.986 -0.557 0.00 0.00 +0.277 C ENDBRANCH 23 28 BRANCH 27 30 ATOM 30 O LIG 1 -5.204 -1.589 2.127 0.00 0.00 -0.493 OA ATOM 31 C LIG 1 -4.652 -2.905 2.213 0.00 0.00 +0.277 C ENDBRANCH 27 30 ENDBRANCH 19 22 ENDBRANCH 2 19 TORSDOF 8