REMARK Name = BDB010378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.238 -2.127 0.431 0.00 0.00 +0.199 A ATOM 2 N LIG 1 0.297 -1.113 0.412 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.720 -1.502 -0.433 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.305 -2.744 -0.895 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -1.005 -3.507 -1.749 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.172 -2.955 -2.078 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.677 -1.766 -1.671 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.946 -0.986 -0.850 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.894 -3.110 -0.365 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.044 -3.705 -3.009 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.274 -3.227 -3.270 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.691 -2.390 -2.893 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.848 -4.079 -4.129 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.973 -3.977 -4.593 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.957 -5.084 -4.405 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -2.776 -4.802 -3.640 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 2.330 -2.062 1.211 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.678 -1.214 1.652 0.00 0.00 +0.150 HD BRANCH 17 20 ATOM 19 C LIG 1 2.908 -4.175 2.263 0.00 0.00 +0.034 C ATOM 20 C LIG 1 3.322 -3.136 1.223 0.00 0.00 +0.119 C BRANCH 20 21 ATOM 21 C LIG 1 4.689 -2.545 1.575 0.00 0.00 +0.064 A ATOM 22 N LIG 1 4.724 -1.274 2.058 0.00 0.00 -0.238 NA ATOM 23 C LIG 1 5.939 -0.788 2.362 0.00 0.00 +0.221 A ATOM 24 N LIG 1 7.104 -1.441 2.245 0.00 0.00 -0.244 NA ATOM 25 C LIG 1 7.022 -2.700 1.772 0.00 0.00 +0.114 A ATOM 26 C LIG 1 5.837 -3.304 1.420 0.00 0.00 +0.045 A ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 8 27 ATOM 27 N LIG 1 -2.436 0.250 -0.457 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -1.712 0.938 -0.320 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.636 0.785 -1.108 0.00 0.00 +0.072 C ATOM 30 C LIG 1 -3.283 1.364 -2.481 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 -4.217 1.897 -0.229 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -5.657 2.381 -0.559 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -5.877 2.529 0.960 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -4.784 1.459 1.149 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 2 35 ATOM 35 C LIG 1 0.354 0.066 1.261 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 1.337 1.145 0.763 0.00 0.00 +0.009 C ATOM 37 C LIG 1 1.636 2.142 1.895 0.00 0.00 +0.005 C ATOM 38 C LIG 1 2.596 3.244 1.443 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.075 3.978 0.203 0.00 0.00 -0.014 C ATOM 40 C LIG 1 3.072 5.040 -0.256 0.00 0.00 +0.007 C ATOM 41 C LIG 1 1.780 2.985 -0.928 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.815 1.890 -0.476 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 9