REMARK Name = BDB020660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.324 1.131 -0.394 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.226 -0.147 0.081 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.755 -1.290 0.182 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.540 -0.189 0.447 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -2.304 1.013 0.338 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -1.807 2.211 -0.198 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -2.841 3.130 -0.268 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -3.950 2.547 0.391 0.00 0.00 +0.030 A ATOM 9 C LIG 1 -3.606 1.261 0.728 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -0.419 2.246 -0.498 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -2.858 4.570 -0.882 0.00 0.00 +0.071 A ATOM 12 N LIG 1 -2.045 5.162 -1.818 0.00 0.00 -0.267 N ATOM 13 C LIG 1 -1.119 4.544 -2.736 0.00 0.00 +0.173 C ATOM 14 N LIG 1 -2.336 6.467 -2.027 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 -3.419 6.676 -1.280 0.00 0.00 +0.135 A ATOM 16 C LIG 1 -3.809 5.526 -0.577 0.00 0.00 +0.049 A ENDBRANCH 7 11 BRANCH 1 19 ATOM 17 N LIG 1 2.054 0.681 -1.976 0.00 0.00 -0.307 N ATOM 18 H LIG 1 1.355 0.106 -2.435 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 1.750 1.305 -0.794 0.00 0.00 +0.245 C ATOM 20 O LIG 1 2.537 1.958 -0.122 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 3.407 0.584 -2.474 0.00 0.00 +0.145 C BRANCH 21 28 ATOM 22 C LIG 1 5.500 -4.664 -1.088 0.00 0.00 +0.063 C ATOM 23 C LIG 1 5.017 -3.275 -1.367 0.00 0.00 +0.016 A ATOM 24 N LIG 1 4.053 -3.128 -2.332 0.00 0.00 -0.326 N ATOM 25 H LIG 1 3.694 -3.940 -2.820 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 3.497 -1.929 -2.698 0.00 0.00 +0.254 A ATOM 27 O LIG 1 2.607 -1.869 -3.541 0.00 0.00 -0.268 OA ATOM 28 C LIG 1 4.013 -0.704 -1.999 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.963 -0.858 -1.049 0.00 0.00 -0.039 A ATOM 30 C LIG 1 5.578 0.252 -0.239 0.00 0.00 +0.044 C ATOM 31 C LIG 1 5.468 -2.186 -0.728 0.00 0.00 +0.024 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 32 ATOM 32 C LIG 1 -2.230 -1.476 0.934 0.00 0.00 +0.101 C ATOM 33 C LIG 1 -3.226 -1.944 -0.150 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 -2.824 -1.364 2.285 0.00 0.00 -0.290 NA ATOM 35 C LIG 1 -3.620 -2.550 2.672 0.00 0.00 +0.113 C ATOM 36 C LIG 1 -3.790 -2.662 4.194 0.00 0.00 +0.175 C ATOM 37 O LIG 1 -2.542 -2.871 4.867 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -1.434 -2.254 4.198 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -1.837 -1.042 3.343 0.00 0.00 +0.113 C ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 6