REMARK Name = BDB035346 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.863 -1.120 1.395 0.00 0.00 +0.241 C ATOM 2 N LIG 1 -0.498 -1.198 1.618 0.00 0.00 -0.267 N ATOM 3 C LIG 1 -1.556 -0.509 1.074 0.00 0.00 +0.056 A ATOM 4 C LIG 1 -2.800 -1.121 1.492 0.00 0.00 -0.012 A ATOM 5 C LIG 1 -3.985 -0.649 1.083 0.00 0.00 +0.076 A ATOM 6 C LIG 1 -4.029 0.538 0.185 0.00 0.00 +0.252 A ATOM 7 N LIG 1 -2.802 1.135 -0.105 0.00 0.00 -0.309 N ATOM 8 O LIG 1 -5.117 0.924 -0.233 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -2.498 -2.269 2.427 0.00 0.00 +0.008 C ATOM 10 C LIG 1 -3.287 -2.199 3.739 0.00 0.00 +0.017 C ATOM 11 C LIG 1 -2.756 -3.613 1.730 0.00 0.00 +0.017 C ATOM 12 C LIG 1 -1.594 0.616 0.352 0.00 0.00 +0.113 A ATOM 13 C LIG 1 -0.988 -2.075 2.689 0.00 0.00 +0.124 C ATOM 14 O LIG 1 1.667 -1.508 2.256 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 15 ATOM 15 C LIG 1 1.405 -0.686 0.008 0.00 0.00 +0.165 C BRANCH 15 17 ATOM 16 C LIG 1 2.641 1.439 0.294 0.00 0.00 +0.230 C ATOM 17 N LIG 1 2.638 0.059 0.295 0.00 0.00 -0.302 N ATOM 18 H LIG 1 3.265 -0.406 0.943 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 1.709 2.091 -0.175 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 3.938 2.094 0.840 0.00 0.00 +0.137 C ATOM 21 C LIG 1 4.256 1.666 2.272 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 3.062 4.266 1.639 0.00 0.00 +0.101 C ATOM 23 N LIG 1 3.894 3.569 0.663 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 3.495 3.741 -0.265 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 15 17 BRANCH 15 25 ATOM 25 C LIG 1 1.659 -1.884 -0.964 0.00 0.00 -0.011 C ATOM 26 C LIG 1 2.154 -1.331 -2.320 0.00 0.00 +0.013 C ATOM 27 C LIG 1 0.352 -2.656 -1.228 0.00 0.00 +0.013 C ATOM 28 C LIG 1 2.712 -2.874 -0.432 0.00 0.00 +0.013 C ENDBRANCH 15 25 ENDBRANCH 1 15 BRANCH 7 29 ATOM 29 C LIG 1 -2.779 2.339 -0.940 0.00 0.00 +0.163 C BRANCH 29 30 ATOM 30 C LIG 1 -2.163 2.094 -2.299 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -1.111 2.900 -2.749 0.00 0.00 +0.131 A ATOM 32 F LIG 1 -0.663 3.902 -1.980 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -0.512 2.690 -3.984 0.00 0.00 +0.077 A ATOM 34 C LIG 1 -0.982 1.662 -4.791 0.00 0.00 +0.126 A ATOM 35 F LIG 1 -0.407 1.444 -5.980 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -2.043 0.857 -4.386 0.00 0.00 +0.039 A ATOM 37 C LIG 1 -2.638 1.076 -3.141 0.00 0.00 +0.011 A ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 7