REMARK Name = BDB032364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.238 0.133 1.317 0.00 0.00 +0.122 A ATOM 2 N LIG 1 -0.185 -0.704 1.416 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 1.067 -0.189 1.495 0.00 0.00 +0.118 A ATOM 4 C LIG 1 1.370 1.166 1.494 0.00 0.00 -0.009 A ATOM 5 C LIG 1 0.280 2.044 1.444 0.00 0.00 -0.041 A ATOM 6 C LIG 1 0.455 3.537 1.472 0.00 0.00 +0.044 C ATOM 7 C LIG 1 -1.019 1.511 1.347 0.00 0.00 +0.047 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 -3.496 0.274 0.321 0.00 0.00 +0.168 C ATOM 9 N LIG 1 -2.532 -0.425 1.235 0.00 0.00 -0.301 N ATOM 10 C LIG 1 -2.488 -1.904 1.155 0.00 0.00 +0.129 C ATOM 11 C LIG 1 -3.889 -2.514 1.136 0.00 0.00 +0.144 C ATOM 12 N LIG 1 -4.651 -1.938 0.053 0.00 0.00 -0.305 N ATOM 13 C LIG 1 -5.618 -2.485 -0.740 0.00 0.00 +0.238 A ATOM 14 N LIG 1 -5.999 -1.565 -1.610 0.00 0.00 -0.125 NA ATOM 15 N LIG 1 -5.276 -0.417 -1.377 0.00 0.00 -0.132 NA ATOM 16 C LIG 1 -4.470 -0.650 -0.365 0.00 0.00 +0.157 A BRANCH 13 17 ATOM 17 C LIG 1 -6.107 -3.876 -0.591 0.00 0.00 +0.452 C ATOM 18 F LIG 1 -5.137 -4.779 -0.896 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -6.472 -4.136 0.694 0.00 0.00 -0.163 F ATOM 20 F LIG 1 -7.178 -4.163 -1.370 0.00 0.00 -0.163 F ENDBRANCH 13 17 BRANCH 8 21 ATOM 21 C LIG 1 -4.330 1.320 1.127 0.00 0.00 +0.189 C BRANCH 21 23 ATOM 22 C LIG 1 -5.000 2.832 -0.592 0.00 0.00 +0.194 C ATOM 23 O LIG 1 -4.232 2.652 0.594 0.00 0.00 -0.381 OA ENDBRANCH 21 23 ENDBRANCH 8 21 ENDBRANCH 1 9 BRANCH 4 24 ATOM 24 C LIG 1 2.794 1.651 1.625 0.00 0.00 +0.138 C BRANCH 24 25 ATOM 25 N LIG 1 3.789 0.691 1.148 0.00 0.00 -0.339 N ATOM 26 H LIG 1 4.646 0.765 1.690 0.00 0.00 +0.146 HD BRANCH 25 27 ATOM 27 C LIG 1 4.103 0.559 -0.222 0.00 0.00 +0.035 A ATOM 28 C LIG 1 5.184 -0.296 -0.617 0.00 0.00 +0.008 A ATOM 29 C LIG 1 5.507 -0.446 -1.991 0.00 0.00 +0.023 A ATOM 30 C LIG 1 6.604 -1.278 -2.336 0.00 0.00 +0.124 A ATOM 31 N LIG 1 7.340 -1.944 -1.431 0.00 0.00 -0.240 NA ATOM 32 C LIG 1 7.000 -1.815 -0.139 0.00 0.00 +0.113 A ATOM 33 C LIG 1 4.720 0.226 -2.950 0.00 0.00 +0.012 A ATOM 34 C LIG 1 3.634 1.007 -2.571 0.00 0.00 +0.003 A ATOM 35 C LIG 1 5.957 -1.024 0.306 0.00 0.00 +0.030 A ATOM 36 C LIG 1 3.325 1.159 -1.223 0.00 0.00 +0.023 A BRANCH 30 37 ATOM 37 N LIG 1 6.985 -1.468 -3.674 0.00 0.00 -0.343 N ATOM 38 H LIG 1 7.212 -0.571 -4.089 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 6.211 -1.881 -4.184 0.00 0.00 +0.144 HD ENDBRANCH 30 37 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 8