REMARK Name = BDB025614 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.151 -0.005 -1.753 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -1.478 0.736 -0.588 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.415 1.129 0.240 0.00 0.00 +0.064 A ATOM 4 C LIG 1 0.911 0.845 -0.089 0.00 0.00 +0.133 A ATOM 5 F LIG 1 1.869 1.272 0.749 0.00 0.00 -0.205 F ATOM 6 C LIG 1 1.253 0.174 -1.267 0.00 0.00 +0.019 A ATOM 7 C LIG 1 0.196 -0.235 -2.094 0.00 0.00 +0.036 A ENDROOT BRANCH 2 8 ATOM 8 N LIG 1 -2.792 1.169 -0.332 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.203 2.278 -1.234 0.00 0.00 +0.120 C ATOM 10 C LIG 1 -4.502 2.951 -0.736 0.00 0.00 +0.103 C ATOM 11 N LIG 1 -4.428 3.516 0.631 0.00 0.00 -0.302 NA ATOM 12 C LIG 1 -4.172 4.953 0.614 0.00 0.00 +0.105 C ATOM 13 C LIG 1 -3.413 2.815 1.451 0.00 0.00 +0.103 C ATOM 14 C LIG 1 -3.242 1.328 1.073 0.00 0.00 +0.120 C ENDBRANCH 2 8 BRANCH 6 15 ATOM 15 C LIG 1 2.653 -0.106 -1.630 0.00 0.00 -0.015 A ATOM 16 C LIG 1 3.538 -0.699 -0.712 0.00 0.00 +0.013 A ATOM 17 C LIG 1 4.876 -0.968 -1.046 0.00 0.00 -0.033 A ATOM 18 C LIG 1 5.332 -0.644 -2.329 0.00 0.00 +0.005 A ATOM 19 C LIG 1 4.473 -0.058 -3.255 0.00 0.00 +0.001 A ATOM 20 C LIG 1 3.147 0.209 -2.908 0.00 0.00 +0.008 A BRANCH 17 21 ATOM 21 C LIG 1 5.809 -1.601 -0.034 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 N LIG 1 6.983 -0.769 0.274 0.00 0.00 -0.294 NA ATOM 23 C LIG 1 6.633 0.485 0.981 0.00 0.00 +0.113 C ATOM 24 C LIG 1 6.221 0.284 2.449 0.00 0.00 +0.175 C ATOM 25 O LIG 1 7.234 -0.414 3.185 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 7.530 -1.676 2.575 0.00 0.00 +0.175 C ATOM 27 C LIG 1 7.958 -1.507 1.107 0.00 0.00 +0.113 C ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 6 15 BRANCH 1 29 ATOM 28 C LIG 1 -3.401 -0.925 -2.490 0.00 0.00 +0.248 C ATOM 29 N LIG 1 -2.093 -0.533 -2.662 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.806 -0.594 -3.631 0.00 0.00 +0.155 HD ATOM 31 O LIG 1 -4.148 -0.965 -3.470 0.00 0.00 -0.270 OA BRANCH 28 39 ATOM 32 C LIG 1 -7.202 -1.466 0.710 0.00 0.00 +0.047 C ATOM 33 C LIG 1 -5.781 -1.741 0.325 0.00 0.00 -0.014 A ATOM 34 C LIG 1 -4.942 -2.460 1.183 0.00 0.00 +0.129 A ATOM 35 F LIG 1 -5.431 -2.914 2.347 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -3.606 -2.721 0.857 0.00 0.00 -0.014 A ATOM 37 C LIG 1 -2.737 -3.489 1.805 0.00 0.00 +0.047 C ATOM 38 C LIG 1 -3.091 -2.213 -0.342 0.00 0.00 +0.019 A ATOM 39 C LIG 1 -3.902 -1.449 -1.193 0.00 0.00 +0.038 A ATOM 40 C LIG 1 -5.250 -1.237 -0.868 0.00 0.00 +0.019 A ENDBRANCH 28 39 ENDBRANCH 1 29 TORSDOF 6