REMARK Name = BDB030960 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.609 -1.193 1.230 0.00 0.00 +0.090 A ATOM 2 C LIG 1 -1.304 -1.515 2.374 0.00 0.00 +0.099 A ATOM 3 C LIG 1 -2.603 -1.065 2.393 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -3.169 -0.351 1.402 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 -2.406 -0.063 0.345 0.00 0.00 +0.216 A ATOM 6 N LIG 1 -1.141 -0.464 0.222 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.465 0.254 0.079 0.00 0.00 +0.080 A ATOM 8 C LIG 1 4.285 -1.130 0.273 0.00 0.00 +0.165 A ATOM 9 C LIG 1 2.999 -1.614 0.544 0.00 0.00 +0.091 A ATOM 10 C LIG 1 1.902 -0.767 0.698 0.00 0.00 +0.013 A ATOM 11 C LIG 1 0.771 -1.589 0.998 0.00 0.00 +0.026 A ATOM 12 C LIG 1 1.197 -2.902 0.957 0.00 0.00 +0.093 A ATOM 13 C LIG 1 2.103 0.621 0.549 0.00 0.00 +0.013 A ATOM 14 N LIG 1 2.542 -2.902 0.690 0.00 0.00 -0.357 N ATOM 15 H LIG 1 3.123 -3.724 0.586 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 3.379 1.115 0.232 0.00 0.00 +0.028 A BRANCH 7 18 ATOM 17 C LIG 1 6.207 1.953 -0.499 0.00 0.00 +0.404 C ATOM 18 N LIG 1 5.757 0.687 -0.272 0.00 0.00 -0.248 N ATOM 19 H LIG 1 6.449 -0.038 -0.407 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 5.585 3.000 -0.420 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 8.130 3.141 -1.109 0.00 0.00 +0.282 C ATOM 22 O LIG 1 7.524 1.876 -0.839 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 O LIG 1 5.356 -1.989 0.130 0.00 0.00 -0.491 OA ATOM 24 C LIG 1 5.908 -2.278 1.417 0.00 0.00 +0.277 C ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 25 ATOM 25 C LIG 1 -0.743 -2.281 3.513 0.00 0.00 +0.421 C ATOM 26 F LIG 1 0.480 -1.850 3.925 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -0.612 -3.611 3.247 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -1.532 -2.221 4.627 0.00 0.00 -0.166 F ENDBRANCH 2 25 BRANCH 5 29 ATOM 29 N LIG 1 -2.895 0.690 -0.711 0.00 0.00 -0.309 N ATOM 30 H LIG 1 -2.228 0.531 -1.461 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.300 0.451 -1.065 0.00 0.00 +0.094 C ATOM 32 C LIG 1 -4.522 0.748 -2.568 0.00 0.00 +0.123 C ATOM 33 N LIG 1 -5.935 0.606 -2.910 0.00 0.00 -0.346 N ATOM 34 H LIG 1 -6.146 0.691 -3.902 0.00 0.00 +0.146 HD ATOM 35 C LIG 1 -6.915 1.119 -2.080 0.00 0.00 -0.003 C ATOM 36 C LIG 1 -8.300 1.262 -2.648 0.00 0.00 +0.060 C ATOM 37 C LIG 1 -6.627 1.484 -0.819 0.00 0.00 -0.007 C ATOM 38 C LIG 1 -5.245 1.348 -0.231 0.00 0.00 +0.052 C ENDBRANCH 29 31 ENDBRANCH 5 29 TORSDOF 7