REMARK Name = BDB034595 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.125 0.908 1.459 0.00 0.00 -0.280 N ATOM 2 H LIG 1 -0.702 1.067 2.032 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.140 0.787 0.105 0.00 0.00 +0.267 C ATOM 4 O LIG 1 0.651 0.485 -0.782 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.837 0.640 2.128 0.00 0.00 -0.032 A ATOM 6 C LIG 1 2.594 0.739 1.452 0.00 0.00 +0.027 A ATOM 7 C LIG 1 1.361 0.786 2.119 0.00 0.00 +0.034 A ATOM 8 C LIG 1 1.339 0.738 3.512 0.00 0.00 +0.023 A ATOM 9 C LIG 1 2.530 0.643 4.220 0.00 0.00 +0.002 A ATOM 10 C LIG 1 3.750 0.604 3.538 0.00 0.00 +0.004 A BRANCH 5 11 ATOM 11 C LIG 1 5.273 0.654 1.306 0.00 0.00 +0.080 C ATOM 12 C LIG 1 5.262 0.258 -0.195 0.00 0.00 +0.177 C ATOM 13 O LIG 1 5.778 1.548 -0.594 0.00 0.00 -0.378 OA ATOM 14 C LIG 1 5.652 2.055 0.753 0.00 0.00 +0.177 C BRANCH 11 15 ATOM 15 C LIG 1 6.381 -0.075 2.087 0.00 0.00 +0.248 C ATOM 16 F LIG 1 5.965 -1.365 2.277 0.00 0.00 -0.236 F BRANCH 15 19 ATOM 17 C LIG 1 7.965 -2.466 0.783 0.00 0.00 +0.151 C ATOM 18 N LIG 1 8.431 -1.118 0.967 0.00 0.00 -0.318 N ATOM 19 C LIG 1 7.768 -0.056 1.530 0.00 0.00 +0.168 A ATOM 20 N LIG 1 8.594 0.973 1.566 0.00 0.00 -0.132 NA ATOM 21 N LIG 1 9.781 0.597 0.990 0.00 0.00 -0.138 NA ATOM 22 C LIG 1 9.669 -0.660 0.633 0.00 0.00 +0.224 A ENDBRANCH 15 19 ENDBRANCH 11 15 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 C LIG 1 -1.579 1.043 -0.234 0.00 0.00 +0.129 A ATOM 24 N LIG 1 -2.331 1.573 0.762 0.00 0.00 -0.227 NA ATOM 25 C LIG 1 -3.610 1.851 0.460 0.00 0.00 +0.133 A ATOM 26 N LIG 1 -4.148 1.614 -0.753 0.00 0.00 -0.235 NA ATOM 27 C LIG 1 -3.369 1.060 -1.711 0.00 0.00 +0.059 A ATOM 28 C LIG 1 -2.047 0.752 -1.491 0.00 0.00 +0.057 A BRANCH 25 29 ATOM 29 C LIG 1 -4.486 2.478 1.516 0.00 0.00 +0.057 C ATOM 30 C LIG 1 -5.710 1.739 2.015 0.00 0.00 +0.012 C ATOM 31 C LIG 1 -4.529 1.917 2.921 0.00 0.00 +0.012 C ENDBRANCH 25 29 BRANCH 27 32 ATOM 32 C LIG 1 -4.021 0.737 -3.041 0.00 0.00 +0.140 C BRANCH 32 33 ATOM 33 N LIG 1 -4.471 -0.657 -3.129 0.00 0.00 -0.296 NA ATOM 34 C LIG 1 -5.592 -0.935 -2.210 0.00 0.00 +0.091 C ATOM 35 C LIG 1 -6.223 -2.153 -2.846 0.00 0.00 -0.015 C ATOM 36 C LIG 1 -6.519 -3.386 -2.024 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -7.650 -2.537 -2.517 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -5.692 -2.303 -4.243 0.00 0.00 +0.023 C ATOM 39 C LIG 1 -4.970 -0.982 -4.471 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 3 23 TORSDOF 8