REMARK Name = BDB010714 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.715 1.032 -0.861 0.00 0.00 -0.319 N ATOM 2 C LIG 1 -1.776 0.156 -0.983 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -2.878 0.933 -0.656 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -4.149 0.502 -0.661 0.00 0.00 -0.200 NA ATOM 5 C LIG 1 -4.235 -0.782 -1.044 0.00 0.00 +0.242 A ATOM 6 N LIG 1 -3.232 -1.616 -1.373 0.00 0.00 -0.205 NA ATOM 7 N LIG 1 -2.531 2.204 -0.322 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.958 -1.183 -1.336 0.00 0.00 +0.149 A ATOM 9 C LIG 1 -1.225 2.270 -0.486 0.00 0.00 +0.147 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 -0.438 3.484 -0.266 0.00 0.00 +0.059 A ATOM 11 C LIG 1 0.173 4.182 -1.316 0.00 0.00 +0.131 A ATOM 12 C LIG 1 0.949 5.315 -1.065 0.00 0.00 +0.046 A ATOM 13 C LIG 1 1.082 5.791 0.240 0.00 0.00 +0.007 A ATOM 14 C LIG 1 0.453 5.130 1.302 0.00 0.00 -0.050 A ATOM 15 C LIG 1 0.551 5.671 2.698 0.00 0.00 +0.044 C ATOM 16 C LIG 1 -0.318 3.988 1.038 0.00 0.00 +0.018 A BRANCH 11 17 ATOM 17 O LIG 1 0.072 3.742 -2.612 0.00 0.00 -0.494 OA ATOM 18 C LIG 1 -1.043 4.368 -3.252 0.00 0.00 +0.277 C ENDBRANCH 11 17 ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 -5.637 -1.327 -1.081 0.00 0.00 +0.375 C ATOM 20 O LIG 1 -5.960 -2.464 -1.381 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 -6.540 -0.369 -0.723 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 -6.071 0.474 -0.518 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 5 19 BRANCH 8 23 ATOM 23 N LIG 1 -0.921 -2.043 -1.651 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -0.080 -1.838 -1.133 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -1.117 -3.492 -1.815 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -1.996 -3.832 -3.015 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -1.507 -4.194 -0.508 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -2.983 -4.354 -0.036 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -2.564 -5.709 0.571 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -1.440 -5.750 -0.484 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 1 31 ATOM 31 C LIG 1 0.693 0.757 -1.101 0.00 0.00 +0.127 C BRANCH 31 35 ATOM 32 C LIG 1 3.539 -0.732 1.931 0.00 0.00 -0.011 C ATOM 33 C LIG 1 3.921 0.469 1.052 0.00 0.00 +0.004 C ATOM 34 C LIG 1 3.033 0.581 -0.186 0.00 0.00 +0.005 C ATOM 35 C LIG 1 1.542 0.635 0.179 0.00 0.00 +0.009 C ATOM 36 C LIG 1 1.168 -0.586 1.030 0.00 0.00 +0.005 C ATOM 37 C LIG 1 2.042 -0.685 2.280 0.00 0.00 +0.004 C BRANCH 32 39 ATOM 38 C LIG 1 5.859 -1.004 2.985 0.00 0.00 +0.004 C ATOM 39 C LIG 1 4.371 -0.799 3.226 0.00 0.00 -0.000 C ENDBRANCH 32 39 ENDBRANCH 31 35 ENDBRANCH 1 31 TORSDOF 10