REMARK Name = BDB011371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.810 0.725 0.150 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.929 -0.337 -0.112 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.333 0.127 0.114 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.724 -0.395 0.068 0.00 0.00 +0.154 C ATOM 5 N LIG 1 -2.438 0.804 0.582 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -1.593 1.879 0.891 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -1.881 2.966 1.360 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.274 1.415 0.568 0.00 0.00 +0.060 A ATOM 9 C LIG 1 1.058 1.819 0.577 0.00 0.00 +0.041 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 4.116 0.011 0.872 0.00 0.00 +0.228 A ATOM 11 C LIG 1 3.262 0.662 0.002 0.00 0.00 +0.078 A ATOM 12 C LIG 1 3.902 1.289 -1.040 0.00 0.00 +0.129 A ATOM 13 N LIG 1 5.238 1.265 -1.231 0.00 0.00 -0.222 NA ATOM 14 C LIG 1 5.990 0.597 -0.339 0.00 0.00 +0.220 A ATOM 15 N LIG 1 5.456 -0.038 0.716 0.00 0.00 -0.179 NA BRANCH 14 16 ATOM 16 N LIG 1 7.371 0.535 -0.534 0.00 0.00 -0.306 N ATOM 17 C LIG 1 8.135 0.236 0.666 0.00 0.00 +0.132 C ATOM 18 C LIG 1 7.902 1.570 -1.407 0.00 0.00 +0.132 C ENDBRANCH 14 16 BRANCH 10 20 ATOM 19 C LIG 1 4.504 -1.229 2.828 0.00 0.00 +0.279 C ATOM 20 O LIG 1 3.547 -0.648 1.950 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 C LIG 1 -3.854 0.749 0.938 0.00 0.00 +0.078 C ATOM 22 C LIG 1 -4.660 1.890 0.308 0.00 0.00 +0.025 C ATOM 23 C LIG 1 -6.168 1.729 0.544 0.00 0.00 +0.033 C ATOM 24 C LIG 1 -6.507 1.004 1.851 0.00 0.00 +0.115 C ATOM 25 C LIG 1 -5.430 1.205 2.911 0.00 0.00 +0.033 C ATOM 26 C LIG 1 -4.058 0.689 2.462 0.00 0.00 +0.025 C BRANCH 24 27 ATOM 27 O LIG 1 -6.628 -0.396 1.596 0.00 0.00 -0.392 OA ATOM 28 H LIG 1 -7.415 -0.520 1.036 0.00 0.00 +0.210 HD ENDBRANCH 24 27 ENDBRANCH 5 21 BRANCH 4 29 ATOM 29 C LIG 1 -2.224 -0.776 -1.313 0.00 0.00 -0.021 A ATOM 30 C LIG 1 -2.841 -2.022 -1.513 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -3.328 -2.384 -2.773 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -3.211 -1.503 -3.851 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -2.609 -0.256 -3.664 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -2.123 0.105 -2.404 0.00 0.00 +0.007 A BRANCH 32 35 ATOM 35 C LIG 1 -3.712 -1.875 -5.142 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -4.118 -2.180 -6.185 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 4 29 BRANCH 2 37 ATOM 37 C LIG 1 1.332 -1.677 -0.543 0.00 0.00 +0.081 C ATOM 38 C LIG 1 0.660 -2.801 0.247 0.00 0.00 +0.030 C ATOM 39 C LIG 1 1.180 -1.866 -2.050 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 8