REMARK Name = BDB039332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.737 -0.877 -0.074 0.00 0.00 -0.030 A ATOM 2 C LIG 1 3.097 -2.070 -0.599 0.00 0.00 +0.032 A ATOM 3 C LIG 1 2.147 -2.838 -1.323 0.00 0.00 +0.066 A ATOM 4 N LIG 1 0.863 -2.332 -1.463 0.00 0.00 -0.299 N ATOM 5 C LIG 1 0.170 -3.261 -2.205 0.00 0.00 +0.204 A ATOM 6 N LIG 1 0.909 -4.302 -2.524 0.00 0.00 -0.243 NA ATOM 7 C LIG 1 0.456 -1.106 -0.916 0.00 0.00 +0.055 A ATOM 8 C LIG 1 2.143 -4.045 -1.983 0.00 0.00 +0.138 A ATOM 9 C LIG 1 1.364 -0.382 -0.226 0.00 0.00 +0.031 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -0.915 -0.595 -1.055 0.00 0.00 -0.001 A ATOM 11 C LIG 1 -1.935 -1.096 -0.227 0.00 0.00 +0.016 A ATOM 12 C LIG 1 -3.216 -0.591 -0.382 0.00 0.00 -0.017 A ATOM 13 C LIG 1 -4.471 -0.937 0.350 0.00 0.00 +0.144 C ATOM 14 N LIG 1 -5.458 -0.082 -0.300 0.00 0.00 -0.282 N ATOM 15 C LIG 1 -4.895 0.741 -1.261 0.00 0.00 +0.248 C ATOM 16 O LIG 1 -5.436 1.618 -1.905 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -3.473 0.391 -1.337 0.00 0.00 +0.042 A ATOM 18 C LIG 1 -2.493 0.910 -2.161 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -1.198 0.405 -2.014 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 -6.822 0.109 0.188 0.00 0.00 +0.163 C ATOM 21 C LIG 1 -7.513 -1.163 0.706 0.00 0.00 +0.240 C ATOM 22 O LIG 1 -7.144 -2.307 0.449 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 -8.634 -0.961 1.480 0.00 0.00 -0.255 N ATOM 24 H LIG 1 -9.080 -1.801 1.823 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 -8.998 0.196 2.119 0.00 0.00 +0.219 C ATOM 26 O LIG 1 -9.864 0.192 2.989 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 -8.304 1.460 1.673 0.00 0.00 +0.098 C ATOM 28 C LIG 1 -6.863 1.184 1.276 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 7 10 BRANCH 1 29 ATOM 29 C LIG 1 3.704 -0.029 0.721 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 4.134 1.135 -0.059 0.00 0.00 -0.306 NA ATOM 31 H LIG 1 3.316 1.689 -0.302 0.00 0.00 +0.123 HD BRANCH 30 33 ATOM 32 C LIG 1 5.253 3.310 -0.064 0.00 0.00 +0.029 C ATOM 33 C LIG 1 5.082 1.982 0.685 0.00 0.00 +0.081 C BRANCH 33 34 ATOM 34 C LIG 1 6.438 1.325 0.882 0.00 0.00 -0.031 A ATOM 35 C LIG 1 7.042 1.324 2.149 0.00 0.00 +0.005 A ATOM 36 C LIG 1 8.292 0.732 2.340 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.954 0.135 1.269 0.00 0.00 +0.000 A ATOM 38 C LIG 1 8.369 0.130 0.005 0.00 0.00 +0.000 A ATOM 39 C LIG 1 7.120 0.722 -0.188 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 6