REMARK Name = BDB050290 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.643 -0.257 2.014 0.00 0.00 +0.092 A ATOM 2 N LIG 1 -1.811 -0.959 2.287 0.00 0.00 -0.287 N ATOM 3 C LIG 1 -2.900 -0.057 2.397 0.00 0.00 +0.337 A ATOM 4 O LIG 1 -4.056 -0.387 2.613 0.00 0.00 -0.246 OA ATOM 5 N LIG 1 -2.330 1.239 2.175 0.00 0.00 -0.231 N ATOM 6 C LIG 1 -0.965 1.054 1.959 0.00 0.00 +0.222 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.088 2.452 2.180 0.00 0.00 +0.058 A ATOM 8 C LIG 1 -2.600 3.632 1.595 0.00 0.00 +0.072 A ATOM 9 C LIG 1 -3.340 4.825 1.591 0.00 0.00 +0.122 A ATOM 10 C LIG 1 -4.593 4.856 2.193 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -5.102 3.700 2.779 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -4.360 2.514 2.768 0.00 0.00 +0.026 A BRANCH 9 13 ATOM 13 O LIG 1 -2.724 5.877 0.968 0.00 0.00 -0.495 OA ATOM 14 C LIG 1 -3.467 7.085 0.862 0.00 0.00 +0.277 C ENDBRANCH 9 13 ENDBRANCH 5 7 BRANCH 6 15 ATOM 15 O LIG 1 -0.135 2.123 1.810 0.00 0.00 -0.492 OA ATOM 16 H LIG 1 0.801 1.839 1.875 0.00 0.00 +0.294 HD ENDBRANCH 6 15 BRANCH 1 17 ATOM 17 C LIG 1 0.663 -0.976 1.857 0.00 0.00 +0.155 C BRANCH 17 20 ATOM 18 N LIG 1 2.156 -0.704 -0.055 0.00 0.00 -0.285 N ATOM 19 H LIG 1 1.675 -1.537 -0.378 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 1.744 -0.162 1.150 0.00 0.00 +0.223 C ATOM 21 O LIG 1 2.151 0.882 1.658 0.00 0.00 -0.275 OA BRANCH 18 25 ATOM 22 C LIG 1 5.128 0.642 -2.753 0.00 0.00 +0.059 A ATOM 23 C LIG 1 4.889 1.361 -1.575 0.00 0.00 +0.017 A ATOM 24 C LIG 1 3.911 0.938 -0.665 0.00 0.00 +0.024 A ATOM 25 C LIG 1 3.154 -0.207 -0.920 0.00 0.00 +0.033 A ATOM 26 C LIG 1 3.391 -0.923 -2.102 0.00 0.00 +0.024 A ATOM 27 C LIG 1 4.371 -0.506 -3.012 0.00 0.00 +0.017 A BRANCH 22 28 ATOM 28 C LIG 1 6.179 1.138 -3.680 0.00 0.00 +0.339 C ATOM 29 O LIG 1 6.831 2.151 -3.477 0.00 0.00 -0.245 OA BRANCH 28 31 ATOM 30 C LIG 1 7.317 0.713 -5.673 0.00 0.00 +0.280 C ATOM 31 O LIG 1 6.304 0.312 -4.748 0.00 0.00 -0.464 OA ENDBRANCH 28 31 ENDBRANCH 22 28 ENDBRANCH 18 25 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 2 32 ATOM 32 C LIG 1 -1.973 -2.386 2.465 0.00 0.00 +0.162 C BRANCH 32 33 ATOM 33 C LIG 1 -1.900 -3.172 1.174 0.00 0.00 -0.027 A ATOM 34 C LIG 1 -1.114 -4.332 1.095 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -1.051 -5.078 -0.088 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -1.783 -4.681 -1.207 0.00 0.00 +0.120 A ATOM 37 C LIG 1 -2.577 -3.536 -1.131 0.00 0.00 +0.046 A ATOM 38 C LIG 1 -2.646 -2.792 0.051 0.00 0.00 +0.009 A BRANCH 36 39 ATOM 39 O LIG 1 -1.799 -5.309 -2.421 0.00 0.00 -0.495 OA ATOM 40 C LIG 1 -1.210 -6.603 -2.483 0.00 0.00 +0.277 C ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 11