REMARK Name = BDB035842 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.094 -0.758 -1.185 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.140 -1.004 -2.176 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.236 -1.069 -3.388 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.144 -1.203 -1.493 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.385 -1.458 -2.047 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.475 -1.614 -1.178 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.270 -1.514 0.220 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.999 -1.252 0.768 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.942 -1.091 -0.123 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.498 -0.791 0.146 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.714 0.027 -0.417 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.324 -0.232 -0.295 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.482 -0.521 -1.384 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -3.065 -0.564 -2.651 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.431 -0.338 -2.818 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.239 -0.050 -1.718 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -7.271 -0.952 1.235 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -7.150 0.520 0.790 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.595 0.386 0.887 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.868 -0.813 1.863 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -4.952 1.635 1.618 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.867 2.917 1.150 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.342 3.432 -0.104 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.195 3.620 2.101 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -3.878 2.822 3.093 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.348 1.567 2.786 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.498 -3.269 0.547 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -7.418 -1.904 0.159 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.787 -1.142 2.255 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.351 0.092 2.623 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.911 -1.381 2.985 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.851 -2.022 2.706 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.862 -1.857 -1.735 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.487 -0.640 -2.257 0.00 0.00 -0.312 NA ATOM 35 H LIG 1 4.798 -0.131 -2.812 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 6.019 0.252 -1.227 0.00 0.00 +0.081 C BRANCH 36 37 ATOM 37 C LIG 1 7.376 -0.227 -0.701 0.00 0.00 +0.024 C BRANCH 37 38 ATOM 38 C LIG 1 7.843 0.663 0.445 0.00 0.00 +0.060 C ATOM 39 C LIG 1 8.191 2.148 0.130 0.00 0.00 +0.252 C ATOM 40 F LIG 1 8.552 2.416 -1.147 0.00 0.00 -0.205 F ATOM 41 F LIG 1 7.239 3.047 0.465 0.00 0.00 -0.205 F ATOM 42 C LIG 1 9.361 2.003 1.132 0.00 0.00 +0.076 C ATOM 43 C LIG 1 9.323 0.488 0.866 0.00 0.00 +0.015 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 10