REMARK Name = BDB037014 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.207 -1.355 -2.875 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -2.613 -0.777 -1.678 0.00 0.00 +0.070 A ATOM 3 C LIG 1 -2.429 -1.226 -0.299 0.00 0.00 +0.256 C ATOM 4 N LIG 1 -3.040 -0.304 0.504 0.00 0.00 -0.222 N ATOM 5 C LIG 1 -3.516 0.751 -0.224 0.00 0.00 +0.255 C ATOM 6 O LIG 1 -4.043 1.772 0.176 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 -1.801 -2.221 0.019 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 -3.269 0.439 -1.628 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -3.582 1.161 -2.761 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -3.212 0.603 -3.981 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -2.540 -0.638 -4.037 0.00 0.00 +0.024 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 -3.000 -0.293 1.956 0.00 0.00 +0.171 C ATOM 13 C LIG 1 -1.622 0.164 2.451 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -0.785 0.741 1.759 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -1.389 -0.066 3.792 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -0.504 0.268 4.150 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -2.126 -0.839 4.659 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -1.778 -0.989 5.827 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -3.408 -1.437 4.120 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -3.348 -1.628 2.610 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 -1.556 -2.602 -2.919 0.00 0.00 -0.338 N ATOM 22 H LIG 1 -1.365 -2.935 -1.964 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 -0.308 -2.629 -3.704 0.00 0.00 +0.160 C BRANCH 23 27 ATOM 24 N LIG 1 2.250 -0.544 -2.191 0.00 0.00 -0.251 N ATOM 25 N LIG 1 2.231 -0.082 -3.452 0.00 0.00 -0.065 NA ATOM 26 N LIG 1 1.295 -0.757 -4.107 0.00 0.00 -0.133 NA ATOM 27 C LIG 1 0.778 -1.703 -3.260 0.00 0.00 +0.100 A ATOM 28 C LIG 1 1.393 -1.590 -2.030 0.00 0.00 +0.135 A BRANCH 24 29 ATOM 29 C LIG 1 3.089 0.075 -1.187 0.00 0.00 +0.151 C BRANCH 29 30 ATOM 30 C LIG 1 2.370 1.246 -0.524 0.00 0.00 +0.080 C BRANCH 30 34 ATOM 31 C LIG 1 6.557 1.806 1.976 0.00 0.00 +0.067 C ATOM 32 C LIG 1 5.102 2.127 1.796 0.00 0.00 +0.057 A ATOM 33 N LIG 1 4.444 1.533 0.767 0.00 0.00 -0.254 NA ATOM 34 C LIG 1 3.127 1.831 0.636 0.00 0.00 +0.061 A ATOM 35 C LIG 1 2.500 2.721 1.504 0.00 0.00 +0.134 A ATOM 36 N LIG 1 3.142 3.316 2.538 0.00 0.00 -0.260 NA ATOM 37 C LIG 1 4.450 2.993 2.666 0.00 0.00 +0.133 A ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 24 29 ENDBRANCH 23 27 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 7