REMARK Name = BDB030353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.765 0.271 2.042 0.00 0.00 -0.004 A ATOM 2 C LIG 1 1.291 0.704 0.824 0.00 0.00 +0.164 A ATOM 3 F LIG 1 0.664 1.675 0.142 0.00 0.00 -0.202 F ATOM 4 C LIG 1 2.454 0.143 0.293 0.00 0.00 +0.180 A ATOM 5 F LIG 1 2.860 0.580 -0.910 0.00 0.00 -0.200 F ATOM 6 C LIG 1 3.148 -0.883 0.956 0.00 0.00 +0.082 A ATOM 7 C LIG 1 2.619 -1.312 2.198 0.00 0.00 +0.061 A ATOM 8 C LIG 1 1.439 -0.748 2.726 0.00 0.00 +0.021 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 3.291 -2.406 2.954 0.00 0.00 +0.243 C ATOM 10 O LIG 1 3.881 -3.314 2.381 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 3.249 -2.343 4.321 0.00 0.00 -0.325 N ATOM 12 H LIG 1 3.066 -1.474 4.806 0.00 0.00 +0.145 HD ATOM 13 H LIG 1 3.833 -3.017 4.804 0.00 0.00 +0.145 HD ENDBRANCH 7 9 BRANCH 6 14 ATOM 14 N LIG 1 4.351 -1.442 0.471 0.00 0.00 -0.309 N ATOM 15 H LIG 1 4.504 -2.411 0.784 0.00 0.00 +0.152 HD BRANCH 14 16 ATOM 16 C LIG 1 5.393 -0.962 -0.343 0.00 0.00 +0.067 A ATOM 17 C LIG 1 6.220 -1.882 -1.004 0.00 0.00 +0.145 A ATOM 18 F LIG 1 6.017 -3.198 -0.824 0.00 0.00 -0.204 F ATOM 19 C LIG 1 7.253 -1.479 -1.850 0.00 0.00 +0.044 A ATOM 20 C LIG 1 7.514 -0.121 -2.070 0.00 0.00 -0.041 A ATOM 21 C LIG 1 6.682 0.803 -1.415 0.00 0.00 +0.006 A ATOM 22 C LIG 1 5.643 0.392 -0.567 0.00 0.00 +0.026 A BRANCH 20 23 ATOM 23 C LIG 1 8.615 0.331 -2.997 0.00 0.00 +0.019 C ATOM 24 C LIG 1 10.026 -0.174 -2.802 0.00 0.00 +0.009 C ATOM 25 C LIG 1 9.699 1.255 -2.491 0.00 0.00 +0.009 C ENDBRANCH 20 23 ENDBRANCH 14 16 ENDBRANCH 6 14 BRANCH 1 26 ATOM 26 C LIG 1 -0.519 0.856 2.574 0.00 0.00 +0.076 C BRANCH 26 30 ATOM 27 C LIG 1 -3.628 0.018 0.566 0.00 0.00 +0.175 A ATOM 28 C LIG 1 -2.505 0.703 1.025 0.00 0.00 +0.168 A ATOM 29 F LIG 1 -2.149 1.868 0.464 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -1.752 0.157 2.064 0.00 0.00 -0.003 A ATOM 31 C LIG 1 -2.175 -1.065 2.602 0.00 0.00 +0.026 A ATOM 32 C LIG 1 -3.311 -1.673 2.080 0.00 0.00 +0.113 A ATOM 33 N LIG 1 -4.046 -1.157 1.072 0.00 0.00 -0.236 NA BRANCH 27 34 ATOM 34 N LIG 1 -4.472 0.564 -0.438 0.00 0.00 -0.187 N ATOM 35 H LIG 1 -3.928 1.133 -1.086 0.00 0.00 +0.176 HD BRANCH 34 36 ATOM 36 S LIG 1 -5.642 1.576 0.204 0.00 0.00 +0.111 S ATOM 37 O LIG 1 -6.401 0.931 1.244 0.00 0.00 -0.138 OA ATOM 38 O LIG 1 -5.046 2.878 0.389 0.00 0.00 -0.138 OA BRANCH 36 39 ATOM 39 N LIG 1 -6.625 1.722 -1.154 0.00 0.00 -0.171 NA ATOM 40 H LIG 1 -6.954 2.691 -1.176 0.00 0.00 +0.150 HD BRANCH 39 42 ATOM 41 C LIG 1 -7.133 -0.658 -1.745 0.00 0.00 +0.029 C ATOM 42 C LIG 1 -7.709 0.740 -1.555 0.00 0.00 +0.038 C ATOM 43 C LIG 1 -8.570 1.210 -2.772 0.00 0.00 +0.023 C ATOM 44 C LIG 1 -9.576 1.797 -1.763 0.00 0.00 +0.004 C ATOM 45 C LIG 1 -9.027 0.801 -0.723 0.00 0.00 +0.023 C ENDBRANCH 39 42 ENDBRANCH 36 39 ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 10