REMARK Name = BDB014391 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.268 -0.341 0.206 0.00 0.00 -0.311 N ATOM 2 C LIG 1 -0.707 0.926 -0.423 0.00 0.00 +0.125 C ATOM 3 C LIG 1 -2.187 1.229 -0.087 0.00 0.00 +0.127 C ATOM 4 N LIG 1 -3.070 0.094 -0.446 0.00 0.00 -0.298 N ATOM 5 C LIG 1 -2.613 -1.181 0.169 0.00 0.00 +0.127 C ATOM 6 C LIG 1 -1.141 -1.477 -0.185 0.00 0.00 +0.125 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.414 0.298 -0.391 0.00 0.00 +0.197 A ATOM 8 N LIG 1 -4.997 1.352 -1.047 0.00 0.00 -0.326 N ATOM 9 H LIG 1 -4.503 2.021 -1.616 0.00 0.00 +0.169 HD ATOM 10 C LIG 1 -6.352 1.302 -0.847 0.00 0.00 +0.071 A ATOM 11 C LIG 1 -6.543 0.163 -0.068 0.00 0.00 +0.103 A ATOM 12 C LIG 1 -7.853 -0.188 0.320 0.00 0.00 +0.067 A ATOM 13 C LIG 1 -8.920 0.628 -0.096 0.00 0.00 +0.053 A ATOM 14 C LIG 1 -8.681 1.754 -0.875 0.00 0.00 +0.126 A ATOM 15 F LIG 1 -9.717 2.512 -1.258 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -7.396 2.124 -1.275 0.00 0.00 +0.066 A ATOM 17 N LIG 1 -5.329 -0.447 0.186 0.00 0.00 -0.214 NA BRANCH 12 18 ATOM 18 C LIG 1 -8.136 -1.383 1.147 0.00 0.00 +0.244 C ATOM 19 O LIG 1 -9.280 -1.672 1.479 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 -7.075 -2.151 1.527 0.00 0.00 -0.325 N ATOM 21 H LIG 1 -6.126 -1.917 1.245 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -7.241 -2.977 2.084 0.00 0.00 +0.145 HD ENDBRANCH 12 18 ENDBRANCH 4 7 BRANCH 1 26 ATOM 23 C LIG 1 3.762 -1.049 -0.341 0.00 0.00 +0.143 A ATOM 24 N LIG 1 3.425 0.076 0.345 0.00 0.00 -0.245 NA ATOM 25 C LIG 1 2.086 0.255 0.498 0.00 0.00 +0.155 A ATOM 26 C LIG 1 1.099 -0.609 -0.007 0.00 0.00 +0.140 A ATOM 27 N LIG 1 1.478 -1.726 -0.671 0.00 0.00 -0.236 NA ATOM 28 C LIG 1 2.813 -1.929 -0.831 0.00 0.00 +0.146 A BRANCH 23 31 ATOM 29 N LIG 1 6.051 -0.348 -0.037 0.00 0.00 -0.310 N ATOM 30 H LIG 1 5.597 0.357 0.539 0.00 0.00 +0.149 HD ATOM 31 C LIG 1 5.212 -1.320 -0.544 0.00 0.00 +0.264 C ATOM 32 O LIG 1 5.595 -2.338 -1.109 0.00 0.00 -0.268 OA BRANCH 29 33 ATOM 33 C LIG 1 7.483 -0.541 0.034 0.00 0.00 +0.107 C BRANCH 33 35 ATOM 34 C LIG 1 7.995 1.315 1.687 0.00 0.00 +0.009 C ATOM 35 C LIG 1 8.241 0.771 0.278 0.00 0.00 -0.000 C ATOM 36 C LIG 1 9.740 0.557 0.062 0.00 0.00 +0.009 C ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 23 31 ENDBRANCH 1 26 TORSDOF 6