REMARK Name = BDB034598 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.623 2.432 -0.856 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -0.800 1.477 -0.213 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.586 1.425 -0.402 0.00 0.00 +0.034 A ATOM 4 C LIG 1 1.194 2.368 -1.230 0.00 0.00 +0.023 A ATOM 5 C LIG 1 0.416 3.299 -1.914 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.970 3.322 -1.730 0.00 0.00 +0.004 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -3.211 2.487 -0.594 0.00 0.00 +0.080 C ATOM 8 C LIG 1 -3.651 2.790 0.858 0.00 0.00 +0.177 C ATOM 9 O LIG 1 -4.649 3.735 0.398 0.00 0.00 -0.378 OA ATOM 10 C LIG 1 -3.990 3.795 -0.895 0.00 0.00 +0.177 C BRANCH 7 11 ATOM 11 C LIG 1 -3.945 1.253 -1.135 0.00 0.00 +0.248 C ATOM 12 F LIG 1 -3.592 0.188 -0.354 0.00 0.00 -0.236 F BRANCH 11 15 ATOM 13 C LIG 1 -2.490 -1.245 -2.387 0.00 0.00 +0.151 C ATOM 14 N LIG 1 -3.055 -0.122 -3.089 0.00 0.00 -0.318 N ATOM 15 C LIG 1 -3.668 0.993 -2.577 0.00 0.00 +0.168 A ATOM 16 N LIG 1 -3.968 1.801 -3.578 0.00 0.00 -0.132 NA ATOM 17 N LIG 1 -3.545 1.218 -4.745 0.00 0.00 -0.138 NA ATOM 18 C LIG 1 -2.994 0.068 -4.435 0.00 0.00 +0.224 A ENDBRANCH 11 15 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 3 19 ATOM 19 N LIG 1 1.416 0.478 0.216 0.00 0.00 -0.280 N ATOM 20 H LIG 1 2.422 0.608 0.143 0.00 0.00 +0.155 HD ATOM 21 C LIG 1 1.041 -0.707 0.822 0.00 0.00 +0.267 C ATOM 22 O LIG 1 -0.089 -1.174 0.893 0.00 0.00 -0.268 OA BRANCH 21 23 ATOM 23 C LIG 1 2.208 -1.474 1.377 0.00 0.00 +0.127 A ATOM 24 N LIG 1 3.434 -0.899 1.211 0.00 0.00 -0.238 NA ATOM 25 C LIG 1 4.514 -1.566 1.714 0.00 0.00 +0.145 A ATOM 26 C LIG 1 4.384 -2.805 2.346 0.00 0.00 +0.037 A ATOM 27 C LIG 1 3.113 -3.380 2.505 0.00 0.00 -0.030 A ATOM 28 C LIG 1 2.003 -2.692 2.011 0.00 0.00 +0.038 A BRANCH 25 29 ATOM 29 C LIG 1 5.908 -0.971 1.541 0.00 0.00 +0.434 C ATOM 30 F LIG 1 5.906 0.380 1.354 0.00 0.00 -0.164 F ATOM 31 F LIG 1 6.561 -1.496 0.465 0.00 0.00 -0.164 F ATOM 32 F LIG 1 6.723 -1.193 2.613 0.00 0.00 -0.164 F ENDBRANCH 25 29 BRANCH 27 33 ATOM 33 C LIG 1 2.949 -4.692 3.223 0.00 0.00 +0.113 C BRANCH 33 34 ATOM 34 N LIG 1 3.302 -4.553 4.627 0.00 0.00 -0.326 NA ATOM 35 H LIG 1 3.143 -5.440 5.101 0.00 0.00 +0.119 HD ATOM 36 H LIG 1 2.662 -3.893 5.065 0.00 0.00 +0.119 HD ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 21 23 ENDBRANCH 3 19 TORSDOF 8