REMARK Name = BDB032356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.408 0.816 -2.385 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -0.391 0.175 -1.284 0.00 0.00 -0.041 A ATOM 3 C LIG 1 0.185 -0.708 -0.361 0.00 0.00 -0.009 A ATOM 4 C LIG 1 -0.643 -1.199 0.642 0.00 0.00 +0.118 A ATOM 5 N LIG 1 -1.954 -0.893 0.782 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 -2.513 -0.052 -0.110 0.00 0.00 +0.122 A ATOM 7 C LIG 1 -1.748 0.505 -1.137 0.00 0.00 +0.047 A ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 -3.873 0.291 0.019 0.00 0.00 -0.306 N ATOM 9 C LIG 1 -4.656 -0.069 -1.189 0.00 0.00 +0.182 C ATOM 10 C LIG 1 -6.134 0.022 -0.986 0.00 0.00 +0.151 A ATOM 11 N LIG 1 -7.108 -0.094 -1.861 0.00 0.00 -0.132 NA ATOM 12 N LIG 1 -8.298 0.054 -1.184 0.00 0.00 -0.125 NA ATOM 13 C LIG 1 -8.031 0.258 0.095 0.00 0.00 +0.238 A ATOM 14 N LIG 1 -6.673 0.229 0.253 0.00 0.00 -0.305 N ATOM 15 C LIG 1 -5.878 0.411 1.449 0.00 0.00 +0.144 C ATOM 16 C LIG 1 -4.477 -0.189 1.278 0.00 0.00 +0.128 C BRANCH 13 17 ATOM 17 C LIG 1 -8.976 0.484 1.213 0.00 0.00 +0.452 C ATOM 18 F LIG 1 -10.265 0.624 0.818 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -8.943 -0.543 2.105 0.00 0.00 -0.163 F ATOM 20 F LIG 1 -8.654 1.603 1.917 0.00 0.00 -0.163 F ENDBRANCH 13 17 ENDBRANCH 6 8 BRANCH 3 21 ATOM 21 C LIG 1 1.636 -1.119 -0.396 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 2.475 0.009 -0.017 0.00 0.00 -0.340 N ATOM 23 H LIG 1 2.066 0.574 0.724 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 3.852 -0.161 0.142 0.00 0.00 +0.028 A ATOM 25 C LIG 1 4.576 0.837 0.810 0.00 0.00 +0.031 A ATOM 26 C LIG 1 5.976 0.779 0.960 0.00 0.00 -0.011 A ATOM 27 C LIG 1 6.696 -0.296 0.404 0.00 0.00 +0.022 A ATOM 28 C LIG 1 8.101 -0.306 0.587 0.00 0.00 +0.124 A ATOM 29 N LIG 1 8.761 0.655 1.258 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 8.040 1.669 1.771 0.00 0.00 +0.113 A ATOM 31 C LIG 1 5.969 -1.279 -0.304 0.00 0.00 +0.014 A ATOM 32 C LIG 1 6.668 1.776 1.651 0.00 0.00 +0.028 A ATOM 33 C LIG 1 4.577 -1.201 -0.442 0.00 0.00 +0.023 A BRANCH 28 34 ATOM 34 N LIG 1 8.897 -1.338 0.062 0.00 0.00 -0.343 N ATOM 35 H LIG 1 8.787 -1.362 -0.946 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 8.590 -2.224 0.448 0.00 0.00 +0.144 HD ENDBRANCH 28 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 6