REMARK Name = BDB034352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.131 0.357 2.500 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.231 -1.031 2.297 0.00 0.00 +0.032 A ATOM 3 C LIG 1 1.522 -1.694 1.303 0.00 0.00 +0.073 A ATOM 4 C LIG 1 0.662 -0.950 0.462 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.019 -1.665 -0.560 0.00 0.00 +0.038 A ATOM 6 C LIG 1 0.204 -3.035 -0.700 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.051 -3.660 0.193 0.00 0.00 +0.113 A ATOM 8 C LIG 1 0.544 0.447 0.676 0.00 0.00 +0.012 A ATOM 9 N LIG 1 1.707 -3.018 1.181 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 1.264 1.090 1.687 0.00 0.00 +0.005 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 -0.846 -1.034 -1.528 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -1.320 -0.225 -1.125 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -0.097 -0.671 -2.744 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -1.011 0.049 -3.743 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -2.088 -0.852 -4.367 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -3.032 -1.432 -3.411 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -2.492 -1.745 -2.591 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -4.021 -0.465 -2.934 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 -4.804 -1.041 -1.787 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -4.470 -0.787 -0.464 0.00 0.00 +0.171 A ATOM 21 O LIG 1 -3.450 0.010 -0.028 0.00 0.00 -0.452 OA ATOM 22 C LIG 1 -3.555 -0.163 1.400 0.00 0.00 +0.466 C ATOM 23 O LIG 1 -4.647 -1.012 1.798 0.00 0.00 -0.453 OA ATOM 24 C LIG 1 -5.155 -1.363 0.583 0.00 0.00 +0.167 A ATOM 25 C LIG 1 -6.218 -2.221 0.377 0.00 0.00 +0.049 A ATOM 26 C LIG 1 -6.582 -2.500 -0.943 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -5.880 -1.919 -2.014 0.00 0.00 +0.009 A ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 28 ATOM 28 C LIG 1 2.947 1.030 3.585 0.00 0.00 +0.070 C BRANCH 28 31 ATOM 29 C LIG 1 5.610 2.929 1.566 0.00 0.00 +0.055 A ATOM 30 C LIG 1 4.726 1.924 1.995 0.00 0.00 +0.016 A ATOM 31 C LIG 1 3.881 2.122 3.102 0.00 0.00 -0.043 A ATOM 32 C LIG 1 3.953 3.335 3.796 0.00 0.00 +0.004 A ATOM 33 C LIG 1 4.829 4.338 3.380 0.00 0.00 +0.001 A ATOM 34 C LIG 1 5.648 4.141 2.269 0.00 0.00 +0.012 A BRANCH 29 36 ATOM 35 F LIG 1 6.768 1.429 0.090 0.00 0.00 -0.166 F ATOM 36 C LIG 1 6.468 2.734 0.341 0.00 0.00 +0.417 C ATOM 37 F LIG 1 7.666 3.382 0.420 0.00 0.00 -0.166 F ATOM 38 F LIG 1 5.867 3.202 -0.789 0.00 0.00 -0.166 F ENDBRANCH 29 36 ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 10