REMARK Name = BDB021364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.926 -0.348 -0.242 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.316 0.679 -1.014 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -1.065 0.686 -1.054 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -1.441 1.765 -1.822 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -0.260 2.345 -2.227 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -1.860 -0.272 -0.389 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.280 -1.206 0.314 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.822 1.667 -1.729 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 0.098 -1.221 0.369 0.00 0.00 +0.126 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 2.666 -1.365 -2.458 0.00 0.00 +0.044 C ATOM 11 C LIG 1 3.210 -1.012 -1.100 0.00 0.00 -0.042 A ATOM 12 C LIG 1 2.383 -0.523 -0.069 0.00 0.00 -0.010 A ATOM 13 C LIG 1 2.953 -0.192 1.172 0.00 0.00 +0.009 A ATOM 14 C LIG 1 4.324 -0.336 1.389 0.00 0.00 +0.005 A ATOM 15 C LIG 1 5.160 -0.802 0.369 0.00 0.00 -0.033 A ATOM 16 C LIG 1 4.592 -1.137 -0.869 0.00 0.00 +0.009 A BRANCH 15 17 ATOM 17 C LIG 1 6.648 -0.961 0.604 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 7.308 0.271 1.073 0.00 0.00 -0.304 NA ATOM 19 C LIG 1 8.675 -0.025 1.501 0.00 0.00 +0.104 C ATOM 20 C LIG 1 7.325 1.298 0.027 0.00 0.00 +0.104 C ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 1 12 BRANCH 5 21 ATOM 21 C LIG 1 -0.107 3.503 -3.054 0.00 0.00 +0.121 C ATOM 22 N LIG 1 -0.030 4.444 -3.731 0.00 0.00 -0.189 NA ENDBRANCH 5 21 BRANCH 6 23 ATOM 23 N LIG 1 -3.232 -0.184 -0.503 0.00 0.00 -0.310 N ATOM 24 H LIG 1 -3.586 0.259 -1.344 0.00 0.00 +0.149 HD BRANCH 23 25 ATOM 25 C LIG 1 -4.084 -1.269 -0.043 0.00 0.00 +0.143 C BRANCH 25 26 ATOM 26 C LIG 1 -5.514 -0.811 -0.073 0.00 0.00 +0.014 A ATOM 27 C LIG 1 -6.071 -0.054 0.953 0.00 0.00 +0.033 A ATOM 28 C LIG 1 -5.486 0.374 2.249 0.00 0.00 +0.186 C ATOM 29 C LIG 1 -6.542 1.409 2.664 0.00 0.00 +0.265 C ATOM 30 O LIG 1 -7.791 1.088 1.993 0.00 0.00 -0.489 OA ATOM 31 C LIG 1 -7.392 0.373 0.893 0.00 0.00 +0.127 A ATOM 32 C LIG 1 -8.216 0.070 -0.171 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -7.675 -0.674 -1.219 0.00 0.00 +0.042 A ATOM 34 C LIG 1 -6.340 -1.099 -1.166 0.00 0.00 +0.129 A ATOM 35 F LIG 1 -5.849 -1.796 -2.201 0.00 0.00 -0.205 F BRANCH 28 36 ATOM 36 O LIG 1 -5.463 -0.726 3.150 0.00 0.00 -0.384 OA ATOM 37 H LIG 1 -6.312 -1.196 3.063 0.00 0.00 +0.210 HD ENDBRANCH 28 36 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 6 23 TORSDOF 8