REMARK Name = BDB061731 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.644 -1.238 -0.458 0.00 0.00 +0.054 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.844 -1.020 -0.578 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.444 -0.865 -1.832 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.821 -0.646 -1.935 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -3.624 -0.578 -0.789 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -3.022 -0.719 0.461 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -1.644 -0.938 0.566 0.00 0.00 +0.005 A BRANCH 5 8 ATOM 8 N LIG 1 -5.002 -0.343 -0.979 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -5.309 -0.280 -1.937 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -6.008 -0.400 -0.024 0.00 0.00 +0.308 C ATOM 11 N LIG 1 -7.209 0.025 -0.578 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -7.136 0.541 -1.440 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 -5.859 -0.771 1.132 0.00 0.00 -0.252 OA BRANCH 11 14 ATOM 14 C LIG 1 -8.485 0.009 0.023 0.00 0.00 +0.035 A ATOM 15 C LIG 1 -9.523 0.656 -0.662 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -10.819 0.676 -0.139 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -11.091 0.044 1.071 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -10.068 -0.608 1.754 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -8.771 -0.628 1.232 0.00 0.00 +0.023 A ENDBRANCH 11 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 1.414 0.082 -0.340 0.00 0.00 +0.107 C BRANCH 20 21 ATOM 21 N LIG 1 2.851 -0.198 -0.244 0.00 0.00 -0.328 N ATOM 22 H LIG 1 3.187 -0.699 -1.063 0.00 0.00 +0.147 HD BRANCH 21 31 ATOM 23 C LIG 1 7.857 0.659 0.296 0.00 0.00 +0.164 A ATOM 24 C LIG 1 7.124 -0.532 0.183 0.00 0.00 +0.162 A ATOM 25 C LIG 1 5.735 -0.465 0.062 0.00 0.00 +0.062 A ATOM 26 C LIG 1 5.061 0.783 0.054 0.00 0.00 +0.044 A ATOM 27 C LIG 1 5.798 1.965 0.190 0.00 0.00 +0.080 A ATOM 28 N LIG 1 5.228 3.172 0.217 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 3.895 3.208 0.118 0.00 0.00 +0.223 A ATOM 30 N LIG 1 3.084 2.156 -0.027 0.00 0.00 -0.220 NA ATOM 31 C LIG 1 3.666 0.946 -0.073 0.00 0.00 +0.130 A ATOM 32 C LIG 1 7.181 1.885 0.302 0.00 0.00 +0.078 A BRANCH 23 34 ATOM 33 C LIG 1 9.993 1.707 0.536 0.00 0.00 +0.277 C ATOM 34 O LIG 1 9.219 0.523 0.402 0.00 0.00 -0.491 OA ENDBRANCH 23 34 BRANCH 24 35 ATOM 35 O LIG 1 7.849 -1.696 0.193 0.00 0.00 -0.491 OA ATOM 36 C LIG 1 7.131 -2.921 0.243 0.00 0.00 +0.277 C ENDBRANCH 24 35 ENDBRANCH 21 31 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8