REMARK Name = BDB011736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.329 -0.049 -0.217 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.905 -1.462 -0.632 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.458 -2.442 -0.109 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.211 -1.620 -1.443 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.349 -1.041 -2.749 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.046 0.304 -3.078 0.00 0.00 +0.058 A ATOM 7 N LIG 1 0.444 1.236 -2.126 0.00 0.00 -0.266 N ATOM 8 C LIG 1 -0.081 2.514 -1.877 0.00 0.00 +0.237 C ATOM 9 C LIG 1 -1.390 2.940 -2.577 0.00 0.00 +0.201 C ATOM 10 N LIG 1 -2.280 3.779 -1.766 0.00 0.00 -0.303 N ATOM 11 H LIG 1 -2.101 4.777 -1.771 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 -3.134 3.406 -0.751 0.00 0.00 +0.244 C ATOM 13 C LIG 1 -3.224 1.977 -0.394 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.870 1.591 0.901 0.00 0.00 +0.021 A ATOM 15 C LIG 1 -2.570 0.248 1.172 0.00 0.00 -0.017 A ATOM 16 C LIG 1 -2.573 -0.681 0.111 0.00 0.00 -0.010 A ATOM 17 C LIG 1 -1.893 -1.916 0.296 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -1.517 -2.326 1.589 0.00 0.00 +0.125 A ATOM 19 C LIG 1 -1.710 -1.464 2.668 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -3.162 -0.297 -1.113 0.00 0.00 +0.010 A ATOM 21 C LIG 1 -2.173 -0.166 2.450 0.00 0.00 +0.012 A ATOM 22 C LIG 1 -3.514 1.023 -1.358 0.00 0.00 +0.013 A ATOM 23 O LIG 1 -3.745 4.240 -0.094 0.00 0.00 -0.270 OA ATOM 24 O LIG 1 0.479 3.311 -1.118 0.00 0.00 -0.274 OA ATOM 25 C LIG 1 -0.223 0.756 -4.400 0.00 0.00 +0.025 A ATOM 26 C LIG 1 -0.728 -0.083 -5.389 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -1.049 -1.394 -5.074 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -0.857 -1.865 -3.773 0.00 0.00 +0.025 A ATOM 29 C LIG 1 -1.232 -2.571 -0.929 0.00 0.00 +0.153 C ATOM 30 C LIG 1 1.651 0.819 -1.413 0.00 0.00 +0.145 C ENDROOT BRANCH 1 32 ATOM 31 C LIG 1 2.816 0.691 1.634 0.00 0.00 +0.230 C ATOM 32 N LIG 1 2.494 -0.228 0.664 0.00 0.00 -0.301 N ATOM 33 H LIG 1 2.812 -1.189 0.762 0.00 0.00 +0.150 HD ATOM 34 O LIG 1 2.273 1.792 1.688 0.00 0.00 -0.274 OA BRANCH 31 35 ATOM 35 C LIG 1 3.964 0.268 2.592 0.00 0.00 +0.137 C ATOM 36 C LIG 1 3.744 -1.109 3.217 0.00 0.00 +0.034 C BRANCH 35 38 ATOM 37 C LIG 1 3.229 1.377 4.674 0.00 0.00 +0.101 C ATOM 38 N LIG 1 4.216 1.329 3.600 0.00 0.00 -0.309 NA ATOM 39 H LIG 1 4.162 2.223 3.099 0.00 0.00 +0.122 HD ENDBRANCH 35 38 ENDBRANCH 31 35 ENDBRANCH 1 32 BRANCH 18 40 ATOM 40 O LIG 1 -0.962 -3.573 1.697 0.00 0.00 -0.495 OA ATOM 41 C LIG 1 -0.083 -3.779 2.797 0.00 0.00 +0.277 C ENDBRANCH 18 40 TORSDOF 4