REMARK Name = BDB015969 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.874 0.404 0.283 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.413 0.019 0.188 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.384 0.941 0.367 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -1.073 2.272 0.646 0.00 0.00 +0.060 A ATOM 5 C LIG 1 0.280 2.562 0.708 0.00 0.00 +0.126 A ATOM 6 N LIG 1 1.268 1.659 0.545 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.292 -1.272 -0.034 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.289 -0.305 0.150 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.916 -0.626 0.088 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.581 -1.969 -0.169 0.00 0.00 +0.011 A ATOM 11 C LIG 1 2.564 -2.943 -0.352 0.00 0.00 +0.001 A ATOM 12 C LIG 1 3.912 -2.595 -0.284 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 9.211 -1.125 -0.714 0.00 0.00 +0.172 C ATOM 14 N LIG 1 7.868 -0.844 -0.271 0.00 0.00 -0.274 N ATOM 15 N LIG 1 7.650 0.189 0.560 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.327 0.162 0.748 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.693 -0.892 0.048 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.732 -1.523 -0.607 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.037 3.346 0.853 0.00 0.00 +0.097 A ATOM 20 N LIG 1 -1.820 4.572 0.343 0.00 0.00 -0.171 NA ATOM 21 N LIG 1 -2.886 5.296 0.723 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -2.992 6.673 0.305 0.00 0.00 +0.172 C ATOM 23 C LIG 1 -3.758 4.607 1.506 0.00 0.00 +0.108 A ATOM 24 C LIG 1 -3.235 3.341 1.620 0.00 0.00 +0.049 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.719 0.530 0.194 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -3.254 0.798 1.018 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.962 -0.900 -0.076 0.00 0.00 +0.103 C ATOM 28 C LIG 1 -4.432 -1.209 0.309 0.00 0.00 +0.163 C ATOM 29 C LIG 1 -4.814 -2.660 -0.016 0.00 0.00 +0.145 C ATOM 30 C LIG 1 -4.534 -3.003 -1.476 0.00 0.00 +0.034 C ATOM 31 C LIG 1 -3.097 -2.671 -1.879 0.00 0.00 +0.004 C ATOM 32 C LIG 1 -2.737 -1.221 -1.560 0.00 0.00 +0.025 C BRANCH 28 33 ATOM 33 O LIG 1 -4.607 -0.978 1.719 0.00 0.00 -0.387 OA ATOM 34 H LIG 1 -4.218 -1.768 2.148 0.00 0.00 +0.210 HD ENDBRANCH 28 33 BRANCH 29 35 ATOM 35 O LIG 1 -4.067 -3.529 0.847 0.00 0.00 -0.389 OA ATOM 36 H LIG 1 -4.346 -4.441 0.651 0.00 0.00 +0.210 HD ENDBRANCH 29 35 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7