REMARK Name = BDB061544 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.868 -1.160 -0.798 0.00 0.00 +0.190 A ATOM 2 N LIG 1 0.668 -1.034 -0.220 0.00 0.00 -0.221 NA ATOM 3 C LIG 1 0.388 0.131 0.410 0.00 0.00 +0.094 A ATOM 4 C LIG 1 1.309 1.162 0.499 0.00 0.00 +0.110 A ATOM 5 C LIG 1 2.517 0.940 -0.142 0.00 0.00 +0.126 A ATOM 6 N LIG 1 2.813 -0.217 -0.777 0.00 0.00 -0.214 NA ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.966 0.171 0.994 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -1.377 -0.831 1.897 0.00 0.00 +0.059 A ATOM 9 C LIG 1 -2.658 -0.826 2.459 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -3.556 0.193 2.099 0.00 0.00 +0.204 A ATOM 11 C LIG 1 -3.156 1.213 1.227 0.00 0.00 +0.166 A ATOM 12 C LIG 1 -1.883 1.178 0.656 0.00 0.00 +0.059 A BRANCH 9 13 ATOM 13 O LIG 1 -3.129 -1.762 3.343 0.00 0.00 -0.491 OA ATOM 14 C LIG 1 -2.228 -2.775 3.769 0.00 0.00 +0.277 C ENDBRANCH 9 13 BRANCH 10 15 ATOM 15 O LIG 1 -4.823 0.197 2.631 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -5.693 -0.576 1.804 0.00 0.00 +0.277 C ENDBRANCH 10 15 BRANCH 11 17 ATOM 17 O LIG 1 -3.956 2.249 0.818 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -4.545 2.966 1.903 0.00 0.00 +0.277 C ENDBRANCH 11 17 ENDBRANCH 3 7 BRANCH 4 19 ATOM 19 C LIG 1 1.046 2.354 1.239 0.00 0.00 +0.104 C ATOM 20 N LIG 1 0.840 3.317 1.853 0.00 0.00 -0.191 NA ENDBRANCH 4 19 BRANCH 1 21 ATOM 21 S LIG 1 2.201 -2.706 -1.599 0.00 0.00 -0.086 S BRANCH 21 22 ATOM 22 C LIG 1 3.685 -2.264 -2.562 0.00 0.00 +0.077 C BRANCH 22 24 ATOM 23 C LIG 1 4.731 -4.595 -2.657 0.00 0.00 +0.004 C ATOM 24 C LIG 1 4.163 -3.420 -3.441 0.00 0.00 +0.008 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 1 21 BRANCH 5 25 ATOM 25 S LIG 1 3.850 2.131 -0.162 0.00 0.00 -0.042 S BRANCH 25 26 ATOM 26 C LIG 1 3.189 3.254 -1.336 0.00 0.00 +0.141 A ATOM 27 S LIG 1 4.102 4.584 -1.925 0.00 0.00 -0.069 S ATOM 28 C LIG 1 2.764 5.064 -2.881 0.00 0.00 +0.067 A ATOM 29 C LIG 1 1.717 4.190 -2.685 0.00 0.00 +0.120 A ATOM 30 N LIG 1 1.961 3.155 -1.802 0.00 0.00 -0.241 NA ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 10