REMARK Name = BDB037169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.045 2.133 -0.649 0.00 0.00 +0.281 C ATOM 2 N LIG 1 1.164 1.310 -0.472 0.00 0.00 -0.180 N ATOM 3 H LIG 1 0.986 0.337 -0.203 0.00 0.00 +0.177 HD ATOM 4 O LIG 1 0.069 3.271 -1.090 0.00 0.00 -0.267 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -3.571 1.531 0.191 0.00 0.00 +0.129 A ATOM 6 C LIG 1 -3.524 0.165 0.529 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -2.283 -0.465 0.462 0.00 0.00 +0.120 A ATOM 8 N LIG 1 -1.133 0.151 0.107 0.00 0.00 -0.250 NA ATOM 9 C LIG 1 -1.227 1.466 -0.228 0.00 0.00 +0.130 A ATOM 10 C LIG 1 -2.410 2.191 -0.202 0.00 0.00 +0.079 A BRANCH 5 12 ATOM 11 C LIG 1 -4.923 3.483 -0.114 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -4.807 2.119 0.285 0.00 0.00 -0.495 OA ENDBRANCH 5 12 BRANCH 6 13 ATOM 13 C LIG 1 -4.798 -0.538 0.941 0.00 0.00 +0.183 C BRANCH 13 14 ATOM 14 N LIG 1 -4.653 -1.967 1.202 0.00 0.00 -0.267 N ATOM 15 N LIG 1 -4.537 -2.837 0.177 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 -4.436 -4.025 0.778 0.00 0.00 +0.134 A ATOM 17 C LIG 1 -4.482 -3.922 2.180 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -4.622 -2.577 2.427 0.00 0.00 +0.108 A ENDBRANCH 13 14 ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 S LIG 1 2.704 1.688 -0.950 0.00 0.00 +0.082 S ATOM 20 O LIG 1 3.071 2.909 -0.265 0.00 0.00 -0.150 OA ATOM 21 O LIG 1 2.774 1.575 -2.394 0.00 0.00 -0.150 OA BRANCH 19 22 ATOM 22 C LIG 1 3.693 0.355 -0.318 0.00 0.00 +0.191 A ATOM 23 C LIG 1 4.972 0.591 0.195 0.00 0.00 +0.150 A ATOM 24 C LIG 1 5.711 -0.458 0.757 0.00 0.00 +0.048 A ATOM 25 C LIG 1 5.200 -1.753 0.770 0.00 0.00 +0.007 A ATOM 26 C LIG 1 3.948 -2.005 0.219 0.00 0.00 +0.048 A ATOM 27 C LIG 1 3.205 -0.959 -0.340 0.00 0.00 +0.150 A BRANCH 23 28 ATOM 28 O LIG 1 5.546 1.830 0.238 0.00 0.00 -0.493 OA ATOM 29 C LIG 1 6.313 2.074 -0.943 0.00 0.00 +0.277 C ENDBRANCH 23 28 BRANCH 27 30 ATOM 30 O LIG 1 1.956 -1.243 -0.830 0.00 0.00 -0.493 OA ATOM 31 C LIG 1 2.045 -1.904 -2.096 0.00 0.00 +0.277 C ENDBRANCH 27 30 ENDBRANCH 19 22 ENDBRANCH 2 19 TORSDOF 8