REMARK Name = BDB020624 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.474 -0.592 -0.511 0.00 0.00 +0.043 A ATOM 2 C LIG 1 2.006 -1.842 -1.135 0.00 0.00 -0.017 A ATOM 3 C LIG 1 3.087 -2.751 -1.664 0.00 0.00 +0.046 C ATOM 4 C LIG 1 0.662 -2.078 -1.211 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -0.217 -1.067 -0.729 0.00 0.00 -0.318 N ATOM 6 C LIG 1 0.224 0.119 -0.145 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -0.866 0.879 0.222 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -2.021 0.167 -0.162 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -1.601 -1.011 -0.744 0.00 0.00 +0.100 A ATOM 10 C LIG 1 1.620 0.330 -0.027 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -3.385 0.634 0.024 0.00 0.00 +0.021 A ATOM 12 C LIG 1 -3.827 1.790 0.625 0.00 0.00 +0.117 A ATOM 13 N LIG 1 -5.191 1.769 0.530 0.00 0.00 -0.268 N ATOM 14 N LIG 1 -5.664 0.672 -0.096 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 -4.560 -0.020 -0.396 0.00 0.00 +0.143 A BRANCH 13 16 ATOM 16 C LIG 1 -6.106 2.804 1.003 0.00 0.00 +0.110 C ATOM 17 C LIG 1 -6.943 2.313 2.193 0.00 0.00 +0.042 C ATOM 18 C LIG 1 -8.193 3.171 2.347 0.00 0.00 +0.083 C ATOM 19 N LIG 1 -9.071 3.118 1.177 0.00 0.00 -0.316 NA ATOM 20 H LIG 1 -9.596 3.989 1.100 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -8.385 2.818 -0.082 0.00 0.00 +0.083 C ATOM 22 C LIG 1 -6.969 3.381 -0.132 0.00 0.00 +0.042 C ENDBRANCH 13 16 ENDBRANCH 8 11 BRANCH 1 25 ATOM 23 N LIG 1 4.344 0.844 -0.963 0.00 0.00 -0.307 N ATOM 24 H LIG 1 3.670 1.428 -1.446 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 3.927 -0.295 -0.321 0.00 0.00 +0.245 C ATOM 26 O LIG 1 4.656 -1.025 0.341 0.00 0.00 -0.270 OA BRANCH 23 27 ATOM 27 C LIG 1 5.677 1.377 -0.807 0.00 0.00 +0.145 C BRANCH 27 34 ATOM 28 C LIG 1 5.561 5.528 3.267 0.00 0.00 +0.063 C ATOM 29 C LIG 1 5.631 4.398 2.288 0.00 0.00 +0.016 A ATOM 30 N LIG 1 5.072 4.602 1.052 0.00 0.00 -0.326 N ATOM 31 H LIG 1 4.635 5.488 0.832 0.00 0.00 +0.169 HD ATOM 32 C LIG 1 5.042 3.666 0.049 0.00 0.00 +0.254 A ATOM 33 O LIG 1 4.497 3.900 -1.026 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 5.692 2.345 0.340 0.00 0.00 +0.037 A ATOM 35 C LIG 1 6.240 2.152 1.561 0.00 0.00 -0.039 A ATOM 36 C LIG 1 6.912 0.891 2.029 0.00 0.00 +0.044 C ATOM 37 C LIG 1 6.196 3.213 2.558 0.00 0.00 +0.024 A ENDBRANCH 27 34 ENDBRANCH 23 27 ENDBRANCH 1 25 BRANCH 4 38 ATOM 38 C LIG 1 0.027 -3.374 -1.749 0.00 0.00 +0.101 C ATOM 39 C LIG 1 -0.098 -3.235 -3.279 0.00 0.00 +0.031 C BRANCH 38 40 ATOM 40 N LIG 1 0.729 -4.606 -1.315 0.00 0.00 -0.290 NA ATOM 41 C LIG 1 0.692 -4.807 0.155 0.00 0.00 +0.113 C ATOM 42 C LIG 1 -0.273 -5.916 0.605 0.00 0.00 +0.175 C ATOM 43 O LIG 1 0.021 -7.195 0.029 0.00 0.00 -0.377 OA ATOM 44 C LIG 1 0.671 -7.100 -1.244 0.00 0.00 +0.175 C ATOM 45 C LIG 1 0.277 -5.827 -2.012 0.00 0.00 +0.113 C ENDBRANCH 38 40 ENDBRANCH 4 38 TORSDOF 7