REMARK Name = BDB057550 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.972 0.254 -1.447 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.271 1.039 -1.114 0.00 0.00 +0.121 A ATOM 3 C LIG 1 1.721 -0.108 -0.545 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.350 -0.365 -0.660 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.488 0.522 -1.346 0.00 0.00 -0.045 A ATOM 6 C LIG 1 0.067 1.671 -1.917 0.00 0.00 +0.007 A ATOM 7 C LIG 1 1.436 1.923 -1.801 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 3.585 1.413 -1.085 0.00 0.00 -0.490 OA BRANCH 8 9 ATOM 9 C LIG 1 4.520 0.593 -0.377 0.00 0.00 +0.248 C BRANCH 9 10 ATOM 10 C LIG 1 5.060 -0.532 -1.271 0.00 0.00 +0.150 C BRANCH 10 12 ATOM 11 C LIG 1 5.171 -2.551 0.198 0.00 0.00 +0.134 C ATOM 12 N LIG 1 5.865 -1.506 -0.531 0.00 0.00 -0.285 N BRANCH 12 13 ATOM 13 C LIG 1 7.103 -1.129 -0.134 0.00 0.00 +0.291 A ATOM 14 O LIG 1 7.759 -1.946 0.752 0.00 0.00 -0.424 OA ATOM 15 C LIG 1 8.951 -1.322 0.963 0.00 0.00 +0.157 A ATOM 16 C LIG 1 8.960 -0.165 0.205 0.00 0.00 +0.111 A ATOM 17 C LIG 1 10.087 0.665 0.247 0.00 0.00 +0.031 A ATOM 18 C LIG 1 11.162 0.279 1.062 0.00 0.00 +0.002 A ATOM 19 C LIG 1 11.113 -0.902 1.815 0.00 0.00 +0.004 A ATOM 20 C LIG 1 9.992 -1.741 1.782 0.00 0.00 +0.048 A ATOM 21 N LIG 1 7.780 -0.053 -0.482 0.00 0.00 -0.195 NA ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 CA LIG 1 -2.803 1.054 -0.426 0.00 0.00 +0.184 C BRANCH 22 23 ATOM 23 C LIG 1 -2.508 0.545 0.987 0.00 0.00 +0.326 C ATOM 24 O LIG 1 -2.540 -0.615 1.372 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT LIG 1 -2.210 1.537 1.855 0.00 0.00 -0.479 OA ATOM 26 HXT LIG 1 -2.079 1.071 2.707 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 N LIG 1 -4.235 0.888 -0.736 0.00 0.00 -0.330 N ATOM 28 H LIG 1 -4.492 -0.087 -0.938 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -5.215 1.673 -0.210 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -6.575 1.214 -0.066 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -7.373 2.233 0.430 0.00 0.00 +0.058 A ATOM 32 S LIG 1 -6.503 3.662 0.779 0.00 0.00 -0.102 S ATOM 33 C LIG 1 -5.045 2.968 0.224 0.00 0.00 +0.068 A BRANCH 30 34 ATOM 34 C LIG 1 -7.055 -0.127 -0.430 0.00 0.00 +0.195 C ATOM 35 O LIG 1 -6.397 -0.894 -1.133 0.00 0.00 -0.287 OA BRANCH 34 36 ATOM 36 C LIG 1 -8.370 -0.604 0.062 0.00 0.00 +0.022 A ATOM 37 C LIG 1 -8.706 -0.534 1.420 0.00 0.00 +0.012 A ATOM 38 C LIG 1 -9.945 -1.010 1.851 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -10.838 -1.567 0.934 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -10.493 -1.660 -0.415 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -9.255 -1.186 -0.852 0.00 0.00 +0.012 A ENDBRANCH 34 36 ENDBRANCH 30 34 ENDBRANCH 27 29 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 13