REMARK Name = BDB038758 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.443 -0.430 -0.919 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.512 0.366 -2.000 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -2.694 0.616 -2.614 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.866 0.053 -2.117 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.839 -0.747 -0.971 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.593 -0.998 -0.382 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.242 -1.045 1.019 0.00 0.00 -0.030 A ATOM 8 C LIG 1 3.439 -0.400 0.065 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.076 -0.646 0.090 0.00 0.00 +0.045 A ATOM 10 C LIG 1 1.020 -0.112 -0.780 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.181 -0.668 -0.334 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.020 -1.553 0.799 0.00 0.00 +0.154 C ATOM 13 O LIG 1 1.275 0.665 -1.680 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.486 -1.494 1.016 0.00 0.00 +0.018 A ATOM 15 C LIG 1 2.264 -2.127 1.957 0.00 0.00 +0.129 A ATOM 16 F LIG 1 1.704 -2.943 2.857 0.00 0.00 -0.205 F ATOM 17 C LIG 1 3.641 -1.908 1.966 0.00 0.00 +0.043 A BRANCH 7 18 ATOM 18 C LIG 1 5.741 -0.807 1.050 0.00 0.00 +0.120 C BRANCH 18 20 ATOM 19 C LIG 1 7.602 0.131 2.412 0.00 0.00 +0.084 C ATOM 20 N LIG 1 6.134 -0.100 2.266 0.00 0.00 -0.293 NA ATOM 21 C LIG 1 5.925 1.362 2.139 0.00 0.00 +0.087 C ATOM 22 C LIG 1 7.258 1.566 2.882 0.00 0.00 +0.036 C BRANCH 19 23 ATOM 23 C LIG 1 8.542 0.002 1.202 0.00 0.00 +0.178 C BRANCH 23 25 ATOM 24 C LIG 1 9.044 0.794 -0.964 0.00 0.00 +0.194 C ATOM 25 O LIG 1 8.169 0.897 0.152 0.00 0.00 -0.381 OA ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 18 20 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -5.081 -1.302 -0.391 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -6.194 -0.501 -0.033 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -7.362 -1.107 0.471 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -7.433 -2.489 0.651 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -6.337 -3.283 0.317 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.179 -2.696 -0.201 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -6.221 0.952 -0.202 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -5.431 1.876 0.438 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -4.441 1.661 1.459 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -5.788 3.094 -0.057 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -6.758 2.947 -0.925 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -7.042 1.605 -1.006 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -8.625 -3.090 1.176 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.580 -3.583 1.612 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -2.654 1.530 -3.821 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -3.750 2.536 -4.088 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -3.582 1.352 -4.998 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 9