REMARK Name = BDB058994 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.839 -0.246 2.335 0.00 0.00 -0.293 N ATOM 2 C LIG 1 0.720 0.569 2.479 0.00 0.00 +0.247 C ATOM 3 O LIG 1 0.705 1.588 3.163 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.522 0.151 1.762 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.589 1.058 1.691 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.782 0.712 1.047 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.900 -0.583 0.519 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -1.841 -1.509 0.569 0.00 0.00 -0.013 A ATOM 9 C LIG 1 -0.630 -1.127 1.184 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.544 -2.068 1.296 0.00 0.00 +0.055 C ATOM 11 C LIG 1 1.852 -1.288 1.318 0.00 0.00 +0.113 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -2.040 -2.841 -0.028 0.00 0.00 -0.015 A ATOM 13 C LIG 1 -1.947 -3.059 -1.423 0.00 0.00 -0.040 A ATOM 14 C LIG 1 -1.647 -1.935 -2.381 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -2.163 -4.350 -1.935 0.00 0.00 +0.042 A ATOM 16 C LIG 1 -2.456 -5.404 -1.077 0.00 0.00 +0.124 A ATOM 17 F LIG 1 -2.655 -6.628 -1.581 0.00 0.00 -0.205 F ATOM 18 C LIG 1 -2.547 -5.207 0.293 0.00 0.00 +0.039 A ATOM 19 C LIG 1 -2.342 -3.929 0.815 0.00 0.00 +0.011 A ENDBRANCH 8 12 BRANCH 1 20 ATOM 20 C LIG 1 3.115 0.205 2.881 0.00 0.00 +0.143 C BRANCH 20 25 ATOM 21 C LIG 1 4.479 2.786 0.421 0.00 0.00 +0.124 A ATOM 22 C LIG 1 5.577 2.106 -0.103 0.00 0.00 +0.091 A ATOM 23 C LIG 1 5.894 0.815 0.334 0.00 0.00 +0.124 A ATOM 24 C LIG 1 5.101 0.200 1.305 0.00 0.00 +0.051 A ATOM 25 C LIG 1 3.992 0.871 1.845 0.00 0.00 -0.023 A ATOM 26 C LIG 1 3.694 2.164 1.393 0.00 0.00 +0.051 A BRANCH 21 28 ATOM 27 C LIG 1 4.827 4.713 -0.927 0.00 0.00 +0.277 C ATOM 28 O LIG 1 4.070 4.045 0.074 0.00 0.00 -0.495 OA ENDBRANCH 21 28 BRANCH 23 29 ATOM 29 O LIG 1 6.995 0.266 -0.267 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 7.384 -1.034 0.158 0.00 0.00 +0.277 C ENDBRANCH 23 29 ENDBRANCH 20 25 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 C LIG 1 -3.921 1.709 0.985 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -4.687 1.616 -0.242 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -4.219 1.948 -1.521 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -3.048 2.316 -1.898 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -2.421 2.326 -1.091 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -5.338 1.796 -2.344 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -5.340 2.149 -3.741 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -6.441 1.442 -1.585 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -6.048 1.328 -0.309 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 7