REMARK Name = BDB051962 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.355 -1.470 1.254 0.00 0.00 +0.035 A ATOM 2 C LIG 1 1.425 -0.885 0.558 0.00 0.00 +0.032 A ATOM 3 C LIG 1 2.762 -1.088 0.946 0.00 0.00 -0.015 A ATOM 4 C LIG 1 3.006 -1.895 2.066 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.947 -2.474 2.774 0.00 0.00 +0.061 A ATOM 6 C LIG 1 0.625 -2.277 2.358 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 3.872 -0.473 0.198 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.881 0.905 -0.083 0.00 0.00 +0.058 A ATOM 9 C LIG 1 4.929 1.482 -0.800 0.00 0.00 +0.163 A ATOM 10 O LIG 1 4.839 2.830 -1.043 0.00 0.00 -0.485 OA ATOM 11 C LIG 1 5.771 3.243 -2.049 0.00 0.00 +0.270 C ATOM 12 C LIG 1 7.140 2.633 -1.798 0.00 0.00 +0.270 C ATOM 13 O LIG 1 7.083 1.206 -1.903 0.00 0.00 -0.485 OA ATOM 14 C LIG 1 6.005 0.699 -1.225 0.00 0.00 +0.162 A ATOM 15 C LIG 1 6.009 -0.668 -0.969 0.00 0.00 +0.050 A ATOM 16 C LIG 1 4.952 -1.248 -0.262 0.00 0.00 +0.012 A ENDBRANCH 3 7 BRANCH 1 18 ATOM 17 C LIG 1 -2.147 -1.621 1.306 0.00 0.00 +0.250 C ATOM 18 N LIG 1 -0.944 -1.197 0.776 0.00 0.00 -0.281 N ATOM 19 H LIG 1 -0.999 -0.656 -0.077 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -2.281 -2.363 2.272 0.00 0.00 -0.270 OA BRANCH 17 24 ATOM 21 C LIG 1 -3.281 2.337 -1.063 0.00 0.00 +0.121 A ATOM 22 C LIG 1 -2.788 1.273 -0.298 0.00 0.00 +0.056 A ATOM 23 C LIG 1 -3.546 0.092 -0.118 0.00 0.00 +0.016 A ATOM 24 C LIG 1 -3.318 -1.139 0.570 0.00 0.00 +0.063 A ATOM 25 C LIG 1 -4.486 -1.870 0.454 0.00 0.00 +0.108 A ATOM 26 N LIG 1 -5.409 -1.189 -0.320 0.00 0.00 -0.287 N ATOM 27 C LIG 1 -6.703 -1.641 -0.671 0.00 0.00 +0.229 C ATOM 28 O LIG 1 -7.435 -0.955 -1.375 0.00 0.00 -0.273 OA ATOM 29 C LIG 1 -7.089 -2.986 -0.131 0.00 0.00 +0.113 C ATOM 30 C LIG 1 -4.826 0.031 -0.684 0.00 0.00 +0.057 A ATOM 31 C LIG 1 -5.327 1.098 -1.456 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -4.538 2.240 -1.641 0.00 0.00 +0.048 A BRANCH 21 34 ATOM 33 C LIG 1 -2.893 4.533 -1.890 0.00 0.00 +0.277 C ATOM 34 O LIG 1 -2.429 3.404 -1.159 0.00 0.00 -0.495 OA ENDBRANCH 21 34 ENDBRANCH 17 24 ENDBRANCH 1 18 BRANCH 5 35 ATOM 35 C LIG 1 2.275 -3.329 3.940 0.00 0.00 +0.337 C ATOM 36 O LIG 1 3.272 -4.029 3.982 0.00 0.00 -0.245 OA BRANCH 35 37 ATOM 37 O LIG 1 1.400 -3.218 4.960 0.00 0.00 -0.477 OA ATOM 38 H LIG 1 0.713 -2.534 4.854 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 5 35 TORSDOF 6