REMARK Name = BDB020628 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.763 0.563 -1.347 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.245 1.527 -0.361 0.00 0.00 -0.017 A ATOM 3 C LIG 1 1.019 2.816 -0.229 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -0.892 1.212 0.325 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -1.545 -0.015 0.005 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -1.071 -0.910 -0.952 0.00 0.00 +0.047 A ATOM 7 C LIG 1 -1.921 -1.991 -1.026 0.00 0.00 +0.031 A ATOM 8 C LIG 1 -2.975 -1.779 -0.102 0.00 0.00 -0.026 A ATOM 9 C LIG 1 -2.714 -0.563 0.503 0.00 0.00 +0.095 A ATOM 10 C LIG 1 0.129 -0.588 -1.635 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -4.158 -2.671 0.172 0.00 0.00 +0.025 C ATOM 12 C LIG 1 -5.052 -2.863 -1.065 0.00 0.00 +0.036 C ATOM 13 C LIG 1 -4.835 -4.232 -1.692 0.00 0.00 +0.160 C ATOM 14 O LIG 1 -5.126 -5.303 -0.794 0.00 0.00 -0.380 OA ATOM 15 C LIG 1 -4.830 -5.048 0.579 0.00 0.00 +0.160 C ATOM 16 C LIG 1 -3.727 -4.020 0.771 0.00 0.00 +0.036 C ENDBRANCH 8 11 BRANCH 1 19 ATOM 17 N LIG 1 3.149 0.653 -1.262 0.00 0.00 -0.307 N ATOM 18 H LIG 1 3.000 0.620 -0.260 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 2.049 0.755 -2.077 0.00 0.00 +0.245 C ATOM 20 O LIG 1 2.088 0.968 -3.282 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 4.460 1.044 -1.724 0.00 0.00 +0.145 C BRANCH 21 28 ATOM 22 C LIG 1 8.566 -1.398 1.589 0.00 0.00 +0.063 C ATOM 23 C LIG 1 7.514 -0.851 0.676 0.00 0.00 +0.016 A ATOM 24 N LIG 1 6.801 0.235 1.120 0.00 0.00 -0.326 N ATOM 25 H LIG 1 6.987 0.625 2.035 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 5.797 0.846 0.413 0.00 0.00 +0.254 A ATOM 27 O LIG 1 5.163 1.786 0.885 0.00 0.00 -0.268 OA ATOM 28 C LIG 1 5.500 0.293 -0.949 0.00 0.00 +0.037 A ATOM 29 C LIG 1 6.202 -0.781 -1.377 0.00 0.00 -0.039 A ATOM 30 C LIG 1 6.003 -1.472 -2.697 0.00 0.00 +0.044 C ATOM 31 C LIG 1 7.235 -1.363 -0.532 0.00 0.00 +0.024 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 32 ATOM 32 C LIG 1 -1.479 2.108 1.429 0.00 0.00 +0.101 C ATOM 33 C LIG 1 -1.258 1.422 2.794 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 -2.882 2.521 1.177 0.00 0.00 -0.290 NA ATOM 35 C LIG 1 -2.994 3.313 -0.074 0.00 0.00 +0.113 C ATOM 36 C LIG 1 -4.435 3.780 -0.329 0.00 0.00 +0.175 C ATOM 37 O LIG 1 -4.923 4.566 0.765 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -4.885 3.793 1.968 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -3.457 3.318 2.284 0.00 0.00 +0.113 C ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 6