REMARK Name = BDB011984 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.122 1.846 -0.973 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.295 1.242 0.371 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.180 1.908 1.406 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.810 -0.056 0.343 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.679 -0.894 -0.815 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.516 -0.956 -1.569 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.592 -1.799 -2.690 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.491 -2.592 -3.059 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -1.667 -2.539 -2.321 0.00 0.00 +0.002 A ATOM 10 N LIG 1 1.649 -0.173 -1.212 0.00 0.00 -0.267 N ATOM 11 C LIG 1 2.953 -0.674 -1.153 0.00 0.00 +0.220 C ATOM 12 O LIG 1 3.940 0.058 -1.247 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -1.761 -1.692 -1.215 0.00 0.00 +0.025 A ATOM 14 C LIG 1 1.500 1.282 -1.323 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 0.211 4.143 -1.912 0.00 0.00 +0.230 C ATOM 16 N LIG 1 0.144 3.303 -0.828 0.00 0.00 -0.301 N ATOM 17 H LIG 1 0.202 3.663 0.121 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 0.278 3.704 -3.060 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 0.272 5.657 -1.575 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -0.824 6.092 -0.602 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -0.985 6.590 -3.486 0.00 0.00 +0.101 C ATOM 22 N LIG 1 0.306 6.467 -2.817 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 0.942 5.989 -3.463 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 -1.107 -0.698 1.637 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 -2.528 -1.206 1.847 0.00 0.00 -0.019 A ATOM 26 C LIG 1 -2.806 -2.617 1.923 0.00 0.00 -0.013 A ATOM 27 C LIG 1 -4.145 -3.037 2.136 0.00 0.00 -0.018 A ATOM 28 C LIG 1 -4.466 -4.403 2.216 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -3.486 -5.382 2.083 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -2.172 -5.004 1.865 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.165 -2.092 2.265 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.893 -0.731 2.192 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -1.839 -3.647 1.786 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -3.587 -0.271 1.994 0.00 0.00 -0.045 A ATOM 35 C LIG 1 -3.372 1.220 1.936 0.00 0.00 +0.044 C ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 36 ATOM 36 C LIG 1 3.106 -2.168 -0.875 0.00 0.00 +0.097 C BRANCH 36 37 ATOM 37 C LIG 1 4.474 -2.536 -0.294 0.00 0.00 +0.017 C BRANCH 37 38 ATOM 38 C LIG 1 4.684 -1.983 1.116 0.00 0.00 +0.074 C BRANCH 38 39 ATOM 39 C LIG 1 6.015 -2.416 1.707 0.00 0.00 +0.130 C ATOM 40 O LIG 1 6.648 -3.380 1.279 0.00 0.00 -0.298 OA ATOM 41 C LIG 1 6.503 -1.631 2.896 0.00 0.00 +0.086 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 9