REMARK Name = BDB032354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.825 0.538 -0.039 0.00 0.00 +0.122 A ATOM 2 N LIG 1 -1.344 -0.536 0.617 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 -0.145 -1.037 0.237 0.00 0.00 +0.118 A ATOM 4 C LIG 1 0.637 -0.528 -0.794 0.00 0.00 -0.009 A ATOM 5 C LIG 1 0.159 0.612 -1.451 0.00 0.00 -0.041 A ATOM 6 C LIG 1 0.927 1.279 -2.557 0.00 0.00 +0.044 C ATOM 7 C LIG 1 -1.085 1.133 -1.064 0.00 0.00 +0.047 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 -4.070 1.133 -0.763 0.00 0.00 +0.143 C ATOM 9 N LIG 1 -3.064 1.081 0.339 0.00 0.00 -0.303 N ATOM 10 C LIG 1 -3.570 0.580 1.636 0.00 0.00 +0.129 C ATOM 11 C LIG 1 -4.314 -0.752 1.505 0.00 0.00 +0.144 C ATOM 12 N LIG 1 -5.321 -0.660 0.469 0.00 0.00 -0.305 N ATOM 13 C LIG 1 -6.481 -1.367 0.317 0.00 0.00 +0.238 A ATOM 14 N LIG 1 -7.086 -0.931 -0.775 0.00 0.00 -0.125 NA ATOM 15 N LIG 1 -6.306 0.053 -1.341 0.00 0.00 -0.132 NA ATOM 16 C LIG 1 -5.242 0.208 -0.584 0.00 0.00 +0.154 A BRANCH 13 17 ATOM 17 C LIG 1 -6.921 -2.425 1.255 0.00 0.00 +0.452 C ATOM 18 F LIG 1 -8.021 -3.099 0.840 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -7.211 -1.911 2.481 0.00 0.00 -0.163 F ATOM 20 F LIG 1 -5.944 -3.351 1.458 0.00 0.00 -0.163 F ENDBRANCH 13 17 BRANCH 8 22 ATOM 21 C LIG 1 -5.239 3.253 0.175 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -4.523 2.591 -0.996 0.00 0.00 +0.027 C ENDBRANCH 8 22 ENDBRANCH 1 9 BRANCH 4 23 ATOM 23 C LIG 1 1.958 -1.183 -1.106 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 2.975 -0.651 -0.209 0.00 0.00 -0.339 N ATOM 25 H LIG 1 2.887 0.357 -0.105 0.00 0.00 +0.146 HD BRANCH 24 26 ATOM 26 C LIG 1 4.328 -1.017 -0.359 0.00 0.00 +0.035 A ATOM 27 C LIG 1 5.332 -0.351 0.415 0.00 0.00 +0.008 A ATOM 28 C LIG 1 6.693 -0.726 0.279 0.00 0.00 +0.023 A ATOM 29 C LIG 1 7.656 -0.033 1.046 0.00 0.00 +0.124 A ATOM 30 N LIG 1 7.364 0.969 1.893 0.00 0.00 -0.240 NA ATOM 31 C LIG 1 6.068 1.297 2.024 0.00 0.00 +0.113 A ATOM 32 C LIG 1 7.030 -1.771 -0.604 0.00 0.00 +0.012 A ATOM 33 C LIG 1 6.050 -2.459 -1.310 0.00 0.00 +0.003 A ATOM 34 C LIG 1 5.042 0.679 1.330 0.00 0.00 +0.030 A ATOM 35 C LIG 1 4.713 -2.095 -1.172 0.00 0.00 +0.023 A BRANCH 29 36 ATOM 36 N LIG 1 9.019 -0.347 0.982 0.00 0.00 -0.343 N ATOM 37 H LIG 1 9.168 -1.319 1.226 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 9.476 0.272 1.648 0.00 0.00 +0.144 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 7