REMARK Name = BDB025888 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.097 -1.148 0.268 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.637 0.191 0.258 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.734 0.473 0.286 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.691 -0.558 0.328 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.210 -1.877 0.336 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.069 -2.907 0.384 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.152 -2.175 0.304 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.928 -2.275 -2.589 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.462 -2.031 -1.149 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.833 -3.200 -0.309 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.203 -3.067 0.196 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.882 -3.452 0.801 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -2.996 -4.642 0.411 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.044 -2.236 1.288 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.488 -1.389 0.210 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.942 -1.719 -1.157 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.130 -0.257 0.365 0.00 0.00 +0.021 A ATOM 18 C LIG 1 4.083 -0.962 -0.342 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.410 -0.701 -0.326 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.839 0.319 0.434 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.998 1.064 1.165 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.679 0.765 1.114 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.193 0.587 0.486 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.634 1.908 0.943 0.00 0.00 +0.136 C ATOM 25 C LIG 1 8.514 2.569 -0.131 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.677 1.803 -0.484 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.492 0.385 -0.339 0.00 0.00 +0.179 C ATOM 28 C LIG 1 8.035 -0.068 -0.517 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.645 1.177 0.240 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.574 0.766 0.228 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.508 2.546 0.181 0.00 0.00 +0.248 C ATOM 32 O LIG 1 -0.458 3.168 0.078 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.791 3.304 0.217 0.00 0.00 +0.040 A ATOM 34 C LIG 1 -2.884 4.492 -0.514 0.00 0.00 +0.058 A ATOM 35 C LIG 1 -4.070 5.218 -0.498 0.00 0.00 +0.118 A ATOM 36 C LIG 1 -5.165 4.785 0.244 0.00 0.00 +0.045 A ATOM 37 C LIG 1 -5.070 3.608 0.988 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -3.885 2.868 0.980 0.00 0.00 +0.013 A BRANCH 35 39 ATOM 39 O LIG 1 -4.121 6.365 -1.234 0.00 0.00 -0.507 OA ATOM 40 H LIG 1 -4.984 6.789 -1.098 0.00 0.00 +0.292 HD ENDBRANCH 35 39 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6