REMARK Name = BDB033738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.478 0.192 0.048 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -0.799 0.382 0.986 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 -3.795 -1.006 -2.064 0.00 0.00 +0.110 A ATOM 4 C LIG 1 -3.849 -0.656 -0.725 0.00 0.00 +0.144 A ATOM 5 N LIG 1 -2.733 -0.271 -0.063 0.00 0.00 -0.198 NA ATOM 6 C LIG 1 -1.563 -0.218 -0.721 0.00 0.00 +0.221 A ATOM 7 N LIG 1 -1.440 -0.536 -2.014 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -2.557 -0.927 -2.658 0.00 0.00 +0.136 A BRANCH 4 9 ATOM 9 N LIG 1 -5.073 -0.682 -0.019 0.00 0.00 -0.314 N ATOM 10 C LIG 1 -5.875 0.526 -0.314 0.00 0.00 +0.106 C ATOM 11 C LIG 1 -6.959 0.726 0.742 0.00 0.00 +0.019 C ATOM 12 C LIG 1 -6.351 0.938 2.129 0.00 0.00 +0.003 C ATOM 13 C LIG 1 -5.015 0.212 2.301 0.00 0.00 +0.019 C ATOM 14 C LIG 1 -4.936 -1.024 1.411 0.00 0.00 +0.106 C ENDBRANCH 4 9 BRANCH 3 16 ATOM 15 N LIG 1 -5.806 -1.813 -3.473 0.00 0.00 -0.191 NA ATOM 16 C LIG 1 -4.918 -1.458 -2.815 0.00 0.00 +0.104 C ENDBRANCH 3 16 ENDBRANCH 1 6 BRANCH 1 17 ATOM 17 C LIG 1 0.876 0.417 -0.218 0.00 0.00 +0.034 A ATOM 18 C LIG 1 1.462 0.255 -1.479 0.00 0.00 +0.025 A ATOM 19 C LIG 1 2.828 0.487 -1.684 0.00 0.00 +0.030 A ATOM 20 C LIG 1 3.629 0.875 -0.612 0.00 0.00 +0.105 A ATOM 21 C LIG 1 3.074 1.053 0.654 0.00 0.00 +0.030 A ATOM 22 C LIG 1 1.708 0.819 0.843 0.00 0.00 +0.025 A BRANCH 20 23 ATOM 23 S LIG 1 5.351 1.195 -0.865 0.00 0.00 +0.059 S ATOM 24 O LIG 1 5.590 1.385 -2.278 0.00 0.00 -0.153 OA ATOM 25 O LIG 1 5.796 2.151 0.124 0.00 0.00 -0.153 OA BRANCH 23 26 ATOM 26 N LIG 1 6.029 -0.309 -0.481 0.00 0.00 -0.182 NA ATOM 27 H LIG 1 6.349 -0.732 -1.357 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 7.041 -0.454 0.631 0.00 0.00 +0.128 C ATOM 29 C LIG 1 7.789 -1.792 0.730 0.00 0.00 +0.182 C ATOM 30 O LIG 1 9.002 -1.197 0.207 0.00 0.00 -0.376 OA ATOM 31 C LIG 1 8.444 0.129 0.389 0.00 0.00 +0.182 C ENDBRANCH 26 28 ENDBRANCH 23 26 ENDBRANCH 20 23 ENDBRANCH 1 17 TORSDOF 7