REMARK Name = BDB061198 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.942 -0.618 0.047 0.00 0.00 +0.015 A ATOM 2 C LIG 1 0.219 -1.636 0.687 0.00 0.00 +0.062 A ATOM 3 C LIG 1 -1.177 -1.639 0.626 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -1.896 -2.741 1.264 0.00 0.00 +0.144 A ATOM 5 N LIG 1 -1.326 -3.694 1.934 0.00 0.00 -0.179 NA ATOM 6 N LIG 1 0.028 -3.660 2.026 0.00 0.00 -0.243 N ATOM 7 H LIG 1 0.466 -4.417 2.543 0.00 0.00 +0.192 HD ATOM 8 C LIG 1 -1.857 -0.624 -0.049 0.00 0.00 +0.128 A ATOM 9 N LIG 1 -1.173 0.352 -0.677 0.00 0.00 -0.239 NA ATOM 10 C LIG 1 0.865 -2.732 1.449 0.00 0.00 +0.273 A ATOM 11 O LIG 1 2.078 -2.824 1.581 0.00 0.00 -0.266 OA ATOM 12 C LIG 1 0.180 0.336 -0.623 0.00 0.00 +0.122 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 2.438 1.016 2.059 0.00 0.00 +0.066 C ATOM 14 C LIG 1 3.122 0.293 0.933 0.00 0.00 +0.046 A ATOM 15 C LIG 1 2.404 -0.493 0.019 0.00 0.00 +0.005 A ATOM 16 C LIG 1 3.141 -1.138 -0.984 0.00 0.00 +0.012 A ATOM 17 C LIG 1 4.523 -0.986 -1.048 0.00 0.00 +0.025 A ATOM 18 C LIG 1 5.156 -0.174 -0.113 0.00 0.00 +0.056 A ATOM 19 N LIG 1 4.468 0.464 0.867 0.00 0.00 -0.255 NA BRANCH 18 20 ATOM 20 C LIG 1 6.664 0.016 -0.153 0.00 0.00 +0.139 C BRANCH 20 21 ATOM 21 N LIG 1 7.123 1.216 -0.888 0.00 0.00 -0.303 NA ATOM 22 C LIG 1 8.540 1.455 -0.612 0.00 0.00 +0.105 C ATOM 23 C LIG 1 6.906 1.100 -2.328 0.00 0.00 +0.105 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 1 15 BRANCH 8 24 ATOM 24 N LIG 1 -3.258 -0.605 -0.105 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -3.652 -0.606 0.832 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.834 0.459 -0.924 0.00 0.00 +0.141 C BRANCH 26 27 ATOM 27 C LIG 1 -5.333 0.389 -0.834 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -6.048 0.966 0.213 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -5.573 1.701 1.410 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -6.905 2.268 1.900 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -7.981 1.448 1.389 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -7.430 0.841 0.289 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -8.162 0.147 -0.652 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -7.469 -0.430 -1.716 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -6.075 -0.308 -1.798 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -5.447 -0.883 -2.833 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 8 24 TORSDOF 6