REMARK Name = BDB037738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.450 2.309 -0.104 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.459 1.242 -0.016 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.093 -0.092 -0.071 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.292 -0.852 0.000 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.341 -0.020 0.095 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 1.338 -0.520 -0.168 0.00 0.00 +0.057 C ATOM 7 C LIG 1 2.066 0.572 -0.987 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -1.825 1.228 0.167 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.792 1.980 -0.402 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.719 2.791 -0.285 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.425 -2.327 -0.048 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.624 -2.926 0.336 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -2.764 -4.359 0.358 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.184 -4.700 0.707 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.932 -3.405 0.871 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -3.615 -5.103 -0.626 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.852 -2.288 0.867 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.479 -3.028 -0.412 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.656 -1.771 2.239 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.522 -1.366 3.320 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.772 2.324 0.337 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -3.275 2.837 -1.016 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -4.266 3.971 -0.809 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -5.343 3.556 0.028 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -4.911 3.167 1.331 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -3.968 1.976 1.242 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.514 0.385 -1.090 0.00 0.00 -0.299 N ATOM 28 H LIG 1 4.081 1.164 -0.773 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 4.058 -0.565 -1.921 0.00 0.00 +0.245 C ATOM 30 O LIG 1 3.376 -1.340 -2.582 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.544 -0.596 -2.015 0.00 0.00 +0.037 A ATOM 32 C LIG 1 6.127 -1.145 -3.164 0.00 0.00 +0.013 A ATOM 33 C LIG 1 7.516 -1.197 -3.292 0.00 0.00 +0.001 A ATOM 34 C LIG 1 8.328 -0.709 -2.269 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.755 -0.175 -1.115 0.00 0.00 +0.001 A ATOM 36 C LIG 1 6.365 -0.121 -0.983 0.00 0.00 +0.013 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 37 ATOM 37 C LIG 1 1.970 -0.709 1.207 0.00 0.00 -0.001 C ATOM 38 C LIG 1 3.106 -1.684 1.405 0.00 0.00 +0.004 C ATOM 39 C LIG 1 1.755 -1.983 1.988 0.00 0.00 +0.004 C ENDBRANCH 6 37 BRANCH 1 41 ATOM 40 C LIG 1 0.287 3.950 1.738 0.00 0.00 +0.025 C ATOM 41 C LIG 1 0.199 3.703 0.239 0.00 0.00 +0.112 C ENDBRANCH 1 41 TORSDOF 7