REMARK Name = BDB034602 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.790 -0.204 -1.858 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -0.438 -0.263 -1.226 0.00 0.00 -0.280 N ATOM 3 H LIG 1 -0.412 0.056 -0.258 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 1.049 -0.522 -3.012 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 4.145 0.933 -0.562 0.00 0.00 -0.027 A ATOM 6 C LIG 1 3.752 1.272 0.743 0.00 0.00 +0.028 A ATOM 7 C LIG 1 2.426 1.112 1.157 0.00 0.00 +0.046 A ATOM 8 N LIG 1 1.483 0.640 0.306 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 1.874 0.317 -0.959 0.00 0.00 +0.126 A ATOM 10 C LIG 1 3.171 0.444 -1.432 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 2.009 1.479 2.561 0.00 0.00 +0.038 C ATOM 12 C LIG 1 2.562 0.714 3.742 0.00 0.00 +0.010 C ATOM 13 C LIG 1 1.125 0.543 3.353 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 15 ATOM 14 C LIG 1 5.891 2.597 -1.184 0.00 0.00 +0.029 C ATOM 15 C LIG 1 5.586 1.098 -1.031 0.00 0.00 +0.084 C BRANCH 15 16 ATOM 16 N LIG 1 6.532 0.482 -0.080 0.00 0.00 -0.290 NA ATOM 17 C LIG 1 6.428 -1.004 -0.108 0.00 0.00 +0.126 C ATOM 18 C LIG 1 7.977 -1.077 -0.097 0.00 0.00 +0.134 C ATOM 19 F LIG 1 8.523 -1.998 -0.929 0.00 0.00 -0.240 F ATOM 20 C LIG 1 8.620 -1.208 1.275 0.00 0.00 +0.050 C ATOM 21 C LIG 1 7.894 0.364 -0.665 0.00 0.00 +0.126 C ENDBRANCH 15 16 ENDBRANCH 5 15 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 C LIG 1 -1.670 -0.691 -1.746 0.00 0.00 +0.034 A ATOM 23 C LIG 1 -2.777 -0.652 -0.884 0.00 0.00 +0.027 A ATOM 24 C LIG 1 -4.071 -1.057 -1.285 0.00 0.00 -0.032 A ATOM 25 C LIG 1 -4.201 -1.495 -2.617 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -3.109 -1.540 -3.485 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -1.846 -1.142 -3.049 0.00 0.00 +0.023 A BRANCH 24 28 ATOM 28 C LIG 1 -5.328 -0.994 -0.280 0.00 0.00 +0.080 C ATOM 29 C LIG 1 -6.287 -2.219 -0.294 0.00 0.00 +0.177 C ATOM 30 O LIG 1 -6.337 -2.228 1.156 0.00 0.00 -0.378 OA ATOM 31 C LIG 1 -5.085 -1.485 1.182 0.00 0.00 +0.177 C BRANCH 28 32 ATOM 32 C LIG 1 -6.064 0.344 -0.471 0.00 0.00 +0.248 C ATOM 33 F LIG 1 -6.943 0.192 -1.511 0.00 0.00 -0.236 F BRANCH 32 34 ATOM 34 C LIG 1 -6.742 0.920 0.725 0.00 0.00 +0.168 A ATOM 35 N LIG 1 -8.077 0.839 1.027 0.00 0.00 -0.318 N ATOM 36 C LIG 1 -9.129 0.212 0.274 0.00 0.00 +0.151 C ATOM 37 C LIG 1 -8.238 1.498 2.208 0.00 0.00 +0.224 A ATOM 38 N LIG 1 -7.084 1.977 2.606 0.00 0.00 -0.138 NA ATOM 39 N LIG 1 -6.144 1.623 1.671 0.00 0.00 -0.132 NA ENDBRANCH 32 34 ENDBRANCH 28 32 ENDBRANCH 24 28 ENDBRANCH 2 22 TORSDOF 8