REMARK Name = BDB038591 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.502 0.852 0.141 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.618 1.654 1.283 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -2.841 2.218 1.692 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -3.973 1.961 0.905 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -3.910 1.163 -0.246 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -2.660 0.638 -0.621 0.00 0.00 +0.032 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.997 -1.462 -0.959 0.00 0.00 -0.030 A ATOM 8 C LIG 1 3.278 -0.635 -0.078 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.931 -0.434 -0.326 0.00 0.00 +0.045 A ATOM 10 C LIG 1 0.957 0.365 0.428 0.00 0.00 +0.252 C ATOM 11 N LIG 1 -0.268 0.257 -0.242 0.00 0.00 -0.263 N ATOM 12 C LIG 1 -0.155 -0.614 -1.412 0.00 0.00 +0.152 C ATOM 13 O LIG 1 1.263 0.964 1.443 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.277 -1.007 -1.405 0.00 0.00 +0.018 A ATOM 15 C LIG 1 1.974 -1.808 -2.279 0.00 0.00 +0.129 A ATOM 16 F LIG 1 1.359 -2.359 -3.332 0.00 0.00 -0.205 F ATOM 17 C LIG 1 3.333 -2.039 -2.065 0.00 0.00 +0.043 A BRANCH 7 18 ATOM 18 C LIG 1 5.474 -1.698 -0.741 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 N LIG 1 6.241 -0.541 -1.181 0.00 0.00 -0.307 NA ATOM 20 H LIG 1 5.976 -0.301 -2.135 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 7.701 -0.741 -1.110 0.00 0.00 +0.076 C ATOM 22 C LIG 1 8.368 0.480 -1.753 0.00 0.00 +0.026 C BRANCH 21 23 ATOM 23 C LIG 1 8.260 -0.963 0.318 0.00 0.00 +0.177 C BRANCH 23 25 ATOM 24 C LIG 1 8.466 -0.040 2.481 0.00 0.00 +0.194 C ATOM 25 O LIG 1 8.008 0.169 1.153 0.00 0.00 -0.381 OA ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -5.128 0.867 -1.031 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -5.550 -0.453 -1.329 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -6.691 -0.665 -2.124 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -7.438 0.413 -2.606 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -7.041 1.715 -2.303 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.898 1.937 -1.528 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -4.822 -1.637 -0.870 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -4.663 -2.052 0.429 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -5.211 -1.478 1.628 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -3.879 -3.165 0.381 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -3.586 -3.442 -0.866 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -4.192 -2.493 -1.654 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -8.604 0.183 -3.407 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.556 0.004 -4.046 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -2.927 3.087 2.924 0.00 0.00 +0.019 C ATOM 41 C LIG 1 -3.909 2.752 4.024 0.00 0.00 +0.009 C ATOM 42 C LIG 1 -2.441 2.562 4.255 0.00 0.00 +0.009 C ENDBRANCH 3 40 TORSDOF 10