REMARK Name = BDB053381 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.389 2.297 -1.754 0.00 0.00 +0.221 C ATOM 2 N LIG 1 0.108 1.997 -2.240 0.00 0.00 -0.294 N ATOM 3 O LIG 1 1.774 3.451 -1.542 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 5 ATOM 4 C LIG 1 3.390 1.513 -0.397 0.00 0.00 +0.033 C ATOM 5 C LIG 1 2.373 1.139 -1.513 0.00 0.00 +0.096 C ATOM 6 C LIG 1 3.009 0.729 -2.856 0.00 0.00 +0.094 C ATOM 7 N LIG 1 4.444 0.987 -2.993 0.00 0.00 -0.315 NA ATOM 8 H LIG 1 4.694 0.981 -3.983 0.00 0.00 +0.122 HD ATOM 9 C LIG 1 4.790 2.278 -2.414 0.00 0.00 +0.081 C ATOM 10 C LIG 1 4.678 2.203 -0.897 0.00 0.00 +0.024 C BRANCH 4 15 ATOM 11 N LIG 1 4.138 -1.970 2.061 0.00 0.00 -0.315 N ATOM 12 C LIG 1 3.440 -0.914 2.642 0.00 0.00 +0.252 A ATOM 13 O LIG 1 2.984 -0.913 3.783 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 3.227 0.279 1.779 0.00 0.00 +0.074 A ATOM 15 C LIG 1 3.675 0.316 0.512 0.00 0.00 -0.037 A ATOM 16 C LIG 1 4.417 -0.821 0.003 0.00 0.00 +0.022 A ATOM 17 C LIG 1 4.626 -1.899 0.769 0.00 0.00 +0.089 A BRANCH 11 19 ATOM 18 C LIG 1 5.698 -3.023 3.661 0.00 0.00 +0.027 C ATOM 19 C LIG 1 4.409 -3.159 2.864 0.00 0.00 +0.121 C ENDBRANCH 11 19 ENDBRANCH 4 15 ENDBRANCH 1 5 BRANCH 2 20 ATOM 20 C LIG 1 -0.907 3.029 -2.458 0.00 0.00 +0.077 C ATOM 21 C LIG 1 -1.077 4.233 -1.574 0.00 0.00 +0.024 C ATOM 22 C LIG 1 -0.610 4.401 -2.995 0.00 0.00 +0.024 C ENDBRANCH 2 20 BRANCH 2 23 ATOM 23 C LIG 1 -0.365 0.629 -2.528 0.00 0.00 +0.143 C BRANCH 23 24 ATOM 24 C LIG 1 -1.334 0.086 -1.499 0.00 0.00 -0.026 A ATOM 25 C LIG 1 -1.054 0.140 -0.122 0.00 0.00 +0.050 A ATOM 26 C LIG 1 -1.942 -0.401 0.810 0.00 0.00 +0.121 A ATOM 27 C LIG 1 -3.124 -0.995 0.364 0.00 0.00 +0.049 A ATOM 28 C LIG 1 -3.424 -1.072 -1.002 0.00 0.00 -0.044 A ATOM 29 C LIG 1 -2.521 -0.531 -1.925 0.00 0.00 +0.009 A BRANCH 26 30 ATOM 30 O LIG 1 -1.778 -0.410 2.168 0.00 0.00 -0.490 OA BRANCH 30 31 ATOM 31 C LIG 1 -0.522 0.050 2.680 0.00 0.00 +0.257 C BRANCH 31 32 ATOM 32 C LIG 1 -0.514 -0.115 4.199 0.00 0.00 +0.200 C BRANCH 32 33 ATOM 33 O LIG 1 -1.352 0.882 4.795 0.00 0.00 -0.380 OA ATOM 34 C LIG 1 -1.397 0.746 6.208 0.00 0.00 +0.194 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 26 30 BRANCH 28 35 ATOM 35 C LIG 1 -4.714 -1.706 -1.463 0.00 0.00 +0.037 C BRANCH 35 36 ATOM 36 C LIG 1 -5.883 -0.721 -1.389 0.00 0.00 +0.033 C BRANCH 36 37 ATOM 37 C LIG 1 -7.171 -1.318 -1.946 0.00 0.00 +0.160 C BRANCH 37 38 ATOM 38 O LIG 1 -7.533 -2.464 -1.179 0.00 0.00 -0.383 OA ATOM 39 C LIG 1 -8.746 -3.043 -1.640 0.00 0.00 +0.193 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 28 35 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 14