REMARK Name = BDB008199 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.152 0.334 -0.146 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 2.807 1.270 1.421 0.00 0.00 -0.303 N ATOM 3 H LIG 1 3.304 0.408 1.226 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 1.722 1.551 0.615 0.00 0.00 +0.234 C ATOM 5 O LIG 1 1.268 2.686 0.471 0.00 0.00 -0.274 OA BRANCH 2 7 ATOM 6 C LIG 1 4.285 1.969 3.246 0.00 0.00 +0.038 C ATOM 7 C LIG 1 3.633 2.359 1.928 0.00 0.00 +0.156 C BRANCH 7 8 ATOM 8 C LIG 1 4.713 2.667 0.872 0.00 0.00 +0.231 C ATOM 9 O LIG 1 5.016 1.895 -0.035 0.00 0.00 -0.274 OA ATOM 10 N LIG 1 5.377 3.851 1.028 0.00 0.00 -0.328 N ATOM 11 H LIG 1 4.960 4.614 1.544 0.00 0.00 +0.145 HD ATOM 12 H LIG 1 6.018 4.098 0.284 0.00 0.00 +0.145 HD ENDBRANCH 7 8 ENDBRANCH 2 7 ENDBRANCH 1 4 BRANCH 1 13 ATOM 13 N LIG 1 -0.188 0.694 -0.603 0.00 0.00 -0.302 N ATOM 14 H LIG 1 -0.248 1.594 -1.067 0.00 0.00 +0.150 HD ATOM 15 C LIG 1 -1.302 0.289 0.102 0.00 0.00 +0.234 C ATOM 16 O LIG 1 -1.261 -0.567 0.987 0.00 0.00 -0.274 OA BRANCH 15 17 ATOM 17 C LIG 1 -2.617 0.978 -0.311 0.00 0.00 +0.156 C ATOM 18 C LIG 1 -2.622 2.440 0.120 0.00 0.00 +0.038 C BRANCH 17 19 ATOM 19 N LIG 1 -3.716 0.248 0.310 0.00 0.00 -0.300 N ATOM 20 H LIG 1 -3.448 -0.457 0.990 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 -4.991 0.279 -0.204 0.00 0.00 +0.245 C ATOM 22 O LIG 1 -5.298 0.949 -1.184 0.00 0.00 -0.270 OA BRANCH 21 23 ATOM 23 C LIG 1 -6.005 -0.580 0.472 0.00 0.00 +0.037 A ATOM 24 C LIG 1 -7.126 -0.985 -0.264 0.00 0.00 +0.013 A ATOM 25 C LIG 1 -8.103 -1.789 0.326 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -7.969 -2.185 1.656 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -6.863 -1.773 2.400 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -5.882 -0.969 1.812 0.00 0.00 +0.013 A ENDBRANCH 21 23 ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 1 13 BRANCH 1 29 ATOM 29 C LIG 1 2.066 -0.005 -1.329 0.00 0.00 +0.033 C BRANCH 29 30 ATOM 30 C LIG 1 1.633 -1.290 -2.046 0.00 0.00 +0.023 C BRANCH 30 31 ATOM 31 C LIG 1 2.596 -1.680 -3.167 0.00 0.00 +0.115 C BRANCH 31 32 ATOM 32 N LIG 1 3.892 -2.037 -2.621 0.00 0.00 -0.356 N ATOM 33 H LIG 1 4.587 -1.304 -2.698 0.00 0.00 +0.162 HD BRANCH 32 34 ATOM 34 C LIG 1 4.367 -3.284 -2.433 0.00 0.00 +0.188 C ATOM 35 N LIG 1 5.609 -3.554 -2.249 0.00 0.00 -0.269 NA ATOM 36 H LIG 1 6.151 -2.690 -2.280 0.00 0.00 +0.190 HD BRANCH 34 37 ATOM 37 N LIG 1 3.475 -4.290 -2.425 0.00 0.00 -0.370 N ATOM 38 H LIG 1 2.674 -4.109 -1.837 0.00 0.00 +0.159 HD ATOM 39 H LIG 1 3.941 -5.146 -2.140 0.00 0.00 +0.159 HD ENDBRANCH 34 37 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 13