REMARK Name = BDB038645 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.481 -0.978 -0.468 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.088 -0.956 -0.341 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.314 -0.388 -1.343 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.874 0.138 -2.455 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.221 0.116 -2.608 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.040 -0.434 -1.627 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.088 -0.318 -1.254 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.896 -0.718 -0.198 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.609 -1.203 0.881 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.280 -0.437 -0.601 0.00 0.00 +0.045 A ATOM 11 C LIG 1 2.254 0.125 -1.870 0.00 0.00 +0.018 A ATOM 12 C LIG 1 3.433 0.483 -2.482 0.00 0.00 +0.129 A ATOM 13 C LIG 1 4.642 0.278 -1.816 0.00 0.00 +0.043 A ATOM 14 C LIG 1 4.667 -0.288 -0.521 0.00 0.00 -0.030 A ATOM 15 F LIG 1 3.425 1.025 -3.705 0.00 0.00 -0.205 F ATOM 16 C LIG 1 3.457 -0.656 0.094 0.00 0.00 +0.018 A ATOM 17 C LIG 1 0.855 0.242 -2.358 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 5.987 -0.515 0.191 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 6.039 0.138 1.510 0.00 0.00 -0.298 NA ATOM 20 C LIG 1 6.169 1.609 1.384 0.00 0.00 +0.088 C ATOM 21 C LIG 1 7.645 1.859 1.359 0.00 0.00 +0.008 C ATOM 22 C LIG 1 8.306 0.646 1.910 0.00 0.00 +0.008 C ATOM 23 C LIG 1 8.460 1.965 2.621 0.00 0.00 +0.010 C ATOM 24 C LIG 1 7.226 -0.326 2.266 0.00 0.00 +0.088 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 -5.305 -0.805 1.291 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -4.330 -1.556 0.592 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -4.184 -2.920 0.913 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -4.988 -3.529 1.881 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -5.965 -2.788 2.546 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -6.123 -1.432 2.248 0.00 0.00 +0.031 A BRANCH 25 33 ATOM 31 C LIG 1 -3.372 1.569 1.994 0.00 0.00 +0.152 C ATOM 32 N LIG 1 -4.653 1.641 1.344 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -5.522 0.620 1.048 0.00 0.00 +0.164 A ATOM 34 N LIG 1 -6.612 1.148 0.519 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 -6.439 2.509 0.434 0.00 0.00 -0.138 NA ATOM 36 C LIG 1 -5.259 2.789 0.933 0.00 0.00 +0.225 A ENDBRANCH 25 33 BRANCH 29 37 ATOM 37 C LIG 1 -6.798 -3.413 3.531 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -7.463 -3.922 4.334 0.00 0.00 -0.191 NA ENDBRANCH 29 37 ENDBRANCH 1 26 BRANCH 5 39 ATOM 39 C LIG 1 -3.818 0.722 -3.855 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -3.178 0.475 -5.201 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -4.494 -0.165 -4.877 0.00 0.00 +0.010 C ENDBRANCH 5 39 TORSDOF 7