REMARK Name = BDB036146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.994 -1.456 0.664 0.00 0.00 -0.311 N ATOM 2 C LIG 1 -1.121 -1.038 -0.413 0.00 0.00 +0.115 C ATOM 3 C LIG 1 0.019 -0.813 0.594 0.00 0.00 +0.004 C ATOM 4 C LIG 1 1.171 -1.821 0.526 0.00 0.00 +0.025 C ATOM 5 C LIG 1 2.112 -1.456 -0.624 0.00 0.00 +0.085 C ATOM 6 N LIG 1 2.633 -0.078 -0.547 0.00 0.00 -0.302 NA ATOM 7 C LIG 1 1.519 0.881 -0.487 0.00 0.00 +0.085 C ATOM 8 C LIG 1 0.543 0.625 0.665 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -1.011 -1.142 1.678 0.00 0.00 +0.115 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -3.977 -2.843 0.411 0.00 0.00 +0.186 A ATOM 11 C LIG 1 -2.602 -2.739 0.613 0.00 0.00 +0.167 A ATOM 12 N LIG 1 -1.823 -3.834 0.763 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -2.429 -5.027 0.667 0.00 0.00 +0.223 A ATOM 14 N LIG 1 -3.732 -5.237 0.443 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -4.478 -4.125 0.309 0.00 0.00 +0.162 A BRANCH 10 16 ATOM 16 O LIG 1 -4.861 -1.808 0.245 0.00 0.00 -0.450 OA BRANCH 16 18 ATOM 17 C LIG 1 -4.939 0.542 0.625 0.00 0.00 +0.082 A ATOM 18 C LIG 1 -4.809 -0.759 1.133 0.00 0.00 +0.141 A ATOM 19 C LIG 1 -4.696 -0.947 2.516 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -4.638 0.161 3.365 0.00 0.00 +0.042 A ATOM 21 C LIG 1 -4.708 1.447 2.833 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -4.625 2.500 3.653 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -4.863 1.653 1.470 0.00 0.00 +0.055 A BRANCH 17 25 ATOM 24 N LIG 1 -6.417 0.664 -1.353 0.00 0.00 -0.295 N ATOM 25 C LIG 1 -5.127 0.776 -0.816 0.00 0.00 +0.250 C ATOM 26 O LIG 1 -4.128 1.095 -1.457 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 -6.625 0.865 -2.801 0.00 0.00 +0.070 C ATOM 28 C LIG 1 -5.911 -0.192 -3.642 0.00 0.00 +0.028 C ATOM 29 C LIG 1 -6.275 2.284 -3.255 0.00 0.00 +0.028 C ENDBRANCH 24 27 BRANCH 24 31 ATOM 30 C LIG 1 -8.134 -1.036 -0.749 0.00 0.00 +0.024 C ATOM 31 C LIG 1 -7.616 0.381 -0.551 0.00 0.00 +0.105 C ENDBRANCH 24 31 ENDBRANCH 17 25 ENDBRANCH 16 18 ENDBRANCH 10 16 ENDBRANCH 1 11 BRANCH 6 32 ATOM 32 C LIG 1 3.628 0.077 0.528 0.00 0.00 +0.088 C BRANCH 32 33 ATOM 33 C LIG 1 4.471 1.367 0.407 0.00 0.00 +0.006 C ATOM 34 C LIG 1 5.510 1.519 1.553 0.00 0.00 -0.006 C ATOM 35 C LIG 1 6.663 0.506 1.400 0.00 0.00 +0.015 C ATOM 36 C LIG 1 7.388 0.713 0.035 0.00 0.00 +0.018 C ATOM 37 C LIG 1 6.677 1.849 -0.746 0.00 0.00 -0.001 C ATOM 38 C LIG 1 6.727 3.154 0.071 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.881 0.976 0.241 0.00 0.00 +0.131 C ATOM 40 C LIG 1 9.442 -0.409 0.356 0.00 0.00 +0.308 C ATOM 41 O LIG 1 10.527 -0.697 0.832 0.00 0.00 -0.251 OA ATOM 42 O LIG 1 8.572 -1.310 -0.186 0.00 0.00 -0.464 OA ATOM 43 C LIG 1 7.463 -0.600 -0.743 0.00 0.00 +0.239 C ATOM 44 C LIG 1 6.116 2.933 1.461 0.00 0.00 +0.004 C ATOM 45 C LIG 1 5.195 1.477 -0.955 0.00 0.00 +0.009 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8