REMARK Name = BDB047689 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.962 -1.169 -0.925 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -2.298 -1.078 -1.428 0.00 0.00 -0.491 OA BRANCH 2 11 ATOM 3 C LIG 1 -4.417 -0.074 -1.237 0.00 0.00 +0.040 A ATOM 4 C LIG 1 -5.431 0.378 -0.382 0.00 0.00 +0.174 A ATOM 5 C LIG 1 -5.392 0.321 0.998 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -6.629 0.891 1.408 0.00 0.00 +0.193 A ATOM 7 N LIG 1 -7.360 1.272 0.346 0.00 0.00 -0.073 NA ATOM 8 C LIG 1 -4.262 -0.233 1.618 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -3.217 -0.699 0.808 0.00 0.00 +0.047 A ATOM 10 O LIG 1 -6.607 0.944 -0.767 0.00 0.00 -0.354 OA ATOM 11 C LIG 1 -3.281 -0.612 -0.590 0.00 0.00 +0.127 A BRANCH 6 12 ATOM 12 C LIG 1 -7.109 1.084 2.802 0.00 0.00 +0.438 C ATOM 13 F LIG 1 -8.461 1.191 2.906 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -6.583 2.204 3.368 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -6.747 0.048 3.608 0.00 0.00 -0.164 F ENDBRANCH 6 12 BRANCH 3 16 ATOM 16 C LIG 1 -4.516 0.035 -2.738 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -4.322 2.573 -2.940 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -3.736 1.219 -3.319 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 3 16 ENDBRANCH 2 11 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -0.640 -2.619 -0.574 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 0.724 -2.754 0.091 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 1.729 -2.264 -0.803 0.00 0.00 -0.491 OA BRANCH 21 22 ATOM 22 C LIG 1 2.887 -1.992 -0.110 0.00 0.00 +0.130 A ATOM 23 C LIG 1 3.261 -0.656 0.151 0.00 0.00 +0.041 A ATOM 24 C LIG 1 2.677 0.610 -0.136 0.00 0.00 +0.031 A ATOM 25 C LIG 1 3.499 1.582 0.387 0.00 0.00 +0.087 A ATOM 26 N LIG 1 4.572 0.954 0.968 0.00 0.00 -0.346 N ATOM 27 C LIG 1 4.451 -0.415 0.846 0.00 0.00 +0.053 A ATOM 28 C LIG 1 5.282 -1.463 1.278 0.00 0.00 +0.026 A ATOM 29 C LIG 1 4.896 -2.777 0.986 0.00 0.00 +0.006 A ATOM 30 C LIG 1 3.719 -3.041 0.292 0.00 0.00 +0.046 A BRANCH 26 31 ATOM 31 C LIG 1 5.689 1.653 1.585 0.00 0.00 +0.133 C BRANCH 31 32 ATOM 32 C LIG 1 6.848 1.809 0.610 0.00 0.00 +0.142 C BRANCH 32 33 ATOM 33 C LIG 1 7.995 2.524 1.268 0.00 0.00 +0.306 C ATOM 34 O LIG 1 7.992 2.949 2.411 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 9.062 2.659 0.448 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 8.936 2.279 -0.443 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 13