REMARK Name = BDB010836 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.162 -1.051 0.015 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.811 -1.374 0.169 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.428 -2.253 1.170 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.912 -2.488 1.152 0.00 0.00 -0.210 NA ATOM 5 C LIG 1 -1.393 -1.767 0.156 0.00 0.00 +0.142 A ATOM 6 N LIG 1 1.265 -2.828 2.045 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.536 -2.468 1.829 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.374 -1.068 -0.475 0.00 0.00 -0.321 N ATOM 9 N LIG 1 3.009 -1.637 0.883 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.525 -3.059 2.757 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.105 -3.909 3.709 0.00 0.00 -0.269 N ATOM 12 H LIG 1 2.160 -4.211 3.881 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.188 -4.286 4.399 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.203 -5.055 5.347 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.286 -3.659 3.863 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.803 -2.856 2.779 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 2.645 -0.207 -0.968 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.987 0.499 -1.259 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 5.032 -0.839 -1.252 0.00 0.00 +0.028 C ATOM 20 C LIG 1 4.031 0.283 -0.976 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 4.410 1.079 0.283 0.00 0.00 +0.009 C ATOM 22 C LIG 1 5.625 2.041 0.148 0.00 0.00 +0.005 C ATOM 23 C LIG 1 4.628 3.180 -0.136 0.00 0.00 +0.001 C ATOM 24 C LIG 1 3.560 2.345 0.592 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 -2.836 -1.789 -0.268 0.00 0.00 +0.183 C BRANCH 25 26 ATOM 26 C LIG 1 -3.803 -1.463 0.881 0.00 0.00 +0.025 C ATOM 27 C LIG 1 -3.966 -2.529 1.968 0.00 0.00 +0.006 C ATOM 28 C LIG 1 -5.245 -2.122 2.693 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -6.089 -1.370 1.665 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -5.248 -1.306 0.395 0.00 0.00 +0.006 C ENDBRANCH 25 26 BRANCH 25 31 ATOM 31 O LIG 1 -3.071 -3.088 -0.804 0.00 0.00 -0.384 OA ATOM 32 H LIG 1 -2.677 -3.716 -0.168 0.00 0.00 +0.210 HD ENDBRANCH 25 31 ENDBRANCH 5 25 BRANCH 8 33 ATOM 33 C LIG 1 -0.504 -0.262 -1.677 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 -0.552 1.262 -1.424 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -1.862 1.742 -0.768 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -2.911 2.142 -1.800 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -2.433 3.311 -2.682 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -2.997 4.646 -2.195 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -0.899 3.388 -2.776 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.274 1.998 -2.752 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 9