REMARK Name = BDB037406 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.047 -2.759 0.799 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.866 -1.786 1.222 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.625 -0.427 1.219 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.659 0.135 2.003 0.00 0.00 +0.086 A ATOM 5 N LIG 1 -2.536 -0.806 2.387 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 0.573 0.181 0.585 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.714 -0.852 0.568 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.179 -1.911 1.672 0.00 0.00 -0.218 N ATOM 9 C LIG 1 1.269 -2.309 0.267 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.040 -3.070 -0.333 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.083 0.700 -0.764 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -0.209 -0.139 -1.855 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.665 0.394 -3.064 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.832 1.767 -3.193 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -1.274 2.272 -4.353 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.549 2.619 -2.136 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.092 2.089 -0.929 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.186 -2.857 1.336 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -3.131 -3.571 0.130 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -4.152 -4.466 -0.198 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.236 -4.638 0.662 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.312 -3.905 1.846 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.297 -3.007 2.179 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.833 -0.514 -0.316 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.212 -1.290 -0.851 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.631 0.578 -0.068 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.405 1.376 0.833 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.833 0.736 -0.933 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.920 1.467 -0.436 0.00 0.00 +0.025 A ATOM 30 C LIG 1 7.078 1.648 -1.211 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.131 1.079 -2.492 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.043 0.365 -2.998 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.894 0.197 -2.224 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 8.259 2.408 -0.657 0.00 0.00 +0.417 C ATOM 35 F LIG 1 9.120 1.598 0.020 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.906 3.392 0.213 0.00 0.00 -0.166 F ATOM 37 F LIG 1 9.003 3.015 -1.624 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 0.818 -4.673 2.167 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -0.075 -4.200 1.026 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -1.861 1.561 2.400 0.00 0.00 +0.162 C BRANCH 40 41 ATOM 41 N LIG 1 -2.953 2.088 1.617 0.00 0.00 -0.309 N ATOM 42 H LIG 1 -3.778 1.509 1.519 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 -2.947 3.358 1.115 0.00 0.00 +0.220 C ATOM 44 O LIG 1 -2.027 4.154 1.247 0.00 0.00 -0.275 OA BRANCH 43 45 ATOM 45 C LIG 1 -4.183 3.694 0.387 0.00 0.00 +0.050 C ATOM 46 C LIG 1 -4.460 3.439 -1.049 0.00 0.00 +0.021 C ATOM 47 C LIG 1 -4.142 4.833 -0.642 0.00 0.00 +0.006 C ATOM 48 C LIG 1 -5.017 4.909 0.559 0.00 0.00 +0.021 C ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 9