REMARK Name = BDB003377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.967 -1.731 -0.495 0.00 0.00 +0.149 C ATOM 2 C LIG 1 -0.505 -3.142 -0.790 0.00 0.00 +0.213 C ATOM 3 O LIG 1 0.257 -3.754 -0.046 0.00 0.00 -0.285 OA ATOM 4 C LIG 1 -0.976 -3.816 -2.007 0.00 0.00 +0.035 A ATOM 5 C LIG 1 -2.100 -3.349 -2.666 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -2.570 -4.008 -3.811 0.00 0.00 +0.012 A ATOM 7 C LIG 1 -1.898 -5.132 -4.294 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -0.766 -5.604 -3.631 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -2.815 -2.188 -2.135 0.00 0.00 +0.212 C ATOM 10 O LIG 1 -3.924 -1.896 -2.580 0.00 0.00 -0.285 OA ATOM 11 C LIG 1 -0.307 -4.950 -2.486 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -2.146 -1.367 -1.060 0.00 0.00 +0.123 C ENDROOT BRANCH 12 13 ATOM 13 N LIG 1 -2.777 -0.204 -0.610 0.00 0.00 -0.302 N ATOM 14 C LIG 1 -2.890 0.221 0.664 0.00 0.00 +0.187 A ATOM 15 N LIG 1 -3.590 1.370 0.673 0.00 0.00 -0.292 N ATOM 16 C LIG 1 -3.848 1.738 -0.631 0.00 0.00 +0.112 A ATOM 17 C LIG 1 -3.375 0.736 -1.433 0.00 0.00 +0.111 A BRANCH 15 18 ATOM 18 C LIG 1 -3.864 2.040 1.924 0.00 0.00 +0.139 A ATOM 19 N LIG 1 -3.680 1.313 3.044 0.00 0.00 -0.238 NA ATOM 20 C LIG 1 -3.941 1.933 4.214 0.00 0.00 +0.113 A ATOM 21 C LIG 1 -4.397 3.238 4.309 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -4.593 3.955 3.133 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -4.324 3.347 1.909 0.00 0.00 +0.047 A ENDBRANCH 15 18 ENDBRANCH 12 13 BRANCH 1 24 ATOM 24 N LIG 1 -0.036 -1.103 0.290 0.00 0.00 -0.092 NA BRANCH 24 25 ATOM 25 S LIG 1 0.168 0.459 0.027 0.00 0.00 +0.092 S ATOM 26 O LIG 1 -0.443 1.323 1.036 0.00 0.00 -0.148 OA ATOM 27 O LIG 1 -0.059 0.901 -1.349 0.00 0.00 -0.148 OA BRANCH 25 31 ATOM 28 C LIG 1 4.661 1.255 0.629 0.00 0.00 +0.033 A ATOM 29 C LIG 1 3.781 1.262 1.723 0.00 0.00 +0.025 A ATOM 30 C LIG 1 2.417 1.021 1.544 0.00 0.00 +0.031 A ATOM 31 C LIG 1 1.933 0.763 0.263 0.00 0.00 +0.110 A ATOM 32 C LIG 1 2.791 0.758 -0.836 0.00 0.00 +0.031 A ATOM 33 C LIG 1 4.155 1.003 -0.649 0.00 0.00 +0.025 A BRANCH 28 36 ATOM 34 C LIG 1 8.386 1.851 0.681 0.00 0.00 +0.109 C ATOM 35 C LIG 1 7.069 1.562 0.002 0.00 0.00 +0.214 C ATOM 36 N LIG 1 6.022 1.505 0.904 0.00 0.00 -0.286 N ATOM 37 H LIG 1 6.249 1.665 1.876 0.00 0.00 +0.155 HD ATOM 38 O LIG 1 7.011 1.432 -1.215 0.00 0.00 -0.276 OA ENDBRANCH 28 36 ENDBRANCH 25 31 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 6