REMARK Name = BDB032411 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.656 0.558 0.399 0.00 0.00 +0.005 A ATOM 2 C LIG 1 0.043 -0.222 1.376 0.00 0.00 +0.130 A ATOM 3 F LIG 1 0.784 -0.798 2.334 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.337 -0.432 1.383 0.00 0.00 +0.061 A ATOM 5 C LIG 1 -2.170 0.143 0.411 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -1.546 0.924 -0.575 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -0.160 1.137 -0.578 0.00 0.00 +0.010 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.553 -0.100 0.439 0.00 0.00 -0.321 N ATOM 9 C LIG 1 -4.201 0.260 1.734 0.00 0.00 +0.181 C ATOM 10 C LIG 1 -5.691 0.149 1.720 0.00 0.00 +0.151 A ATOM 11 N LIG 1 -6.553 0.344 2.693 0.00 0.00 -0.132 NA ATOM 12 N LIG 1 -7.815 0.130 2.184 0.00 0.00 -0.125 NA ATOM 13 C LIG 1 -7.702 -0.192 0.907 0.00 0.00 +0.238 A ATOM 14 N LIG 1 -6.375 -0.172 0.582 0.00 0.00 -0.305 N ATOM 15 C LIG 1 -5.728 -0.447 -0.682 0.00 0.00 +0.144 C ATOM 16 C LIG 1 -4.354 0.234 -0.754 0.00 0.00 +0.127 C BRANCH 13 17 ATOM 17 C LIG 1 -8.774 -0.522 -0.061 0.00 0.00 +0.452 C ATOM 18 F LIG 1 -10.002 -0.636 0.499 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -8.866 0.422 -1.037 0.00 0.00 -0.163 F ATOM 20 F LIG 1 -8.520 -1.697 -0.701 0.00 0.00 -0.163 F ENDBRANCH 13 17 ENDBRANCH 5 8 BRANCH 1 21 ATOM 21 C LIG 1 2.143 0.794 0.422 0.00 0.00 +0.139 C BRANCH 21 22 ATOM 22 N LIG 1 2.712 0.468 -0.893 0.00 0.00 -0.339 N ATOM 23 H LIG 1 2.477 -0.488 -1.145 0.00 0.00 +0.146 HD BRANCH 22 27 ATOM 24 C LIG 1 7.339 -1.161 -0.408 0.00 0.00 +0.124 A ATOM 25 C LIG 1 6.436 -0.098 -0.663 0.00 0.00 +0.023 A ATOM 26 C LIG 1 5.048 -0.387 -0.655 0.00 0.00 +0.008 A ATOM 27 C LIG 1 4.118 0.661 -0.922 0.00 0.00 +0.035 A ATOM 28 C LIG 1 4.579 1.968 -1.141 0.00 0.00 +0.023 A ATOM 29 C LIG 1 5.937 2.252 -1.148 0.00 0.00 +0.003 A ATOM 30 C LIG 1 4.661 -1.710 -0.374 0.00 0.00 +0.030 A ATOM 31 C LIG 1 5.628 -2.669 -0.134 0.00 0.00 +0.113 A ATOM 32 C LIG 1 6.855 1.230 -0.917 0.00 0.00 +0.012 A ATOM 33 N LIG 1 6.947 -2.419 -0.149 0.00 0.00 -0.240 NA BRANCH 24 34 ATOM 34 N LIG 1 8.729 -0.955 -0.404 0.00 0.00 -0.343 N ATOM 35 H LIG 1 9.017 -0.604 -1.311 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 8.963 -0.268 0.305 0.00 0.00 +0.144 HD ENDBRANCH 24 34 ENDBRANCH 22 27 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6