REMARK Name = BDB053963 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.112 1.270 -1.590 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -2.096 0.384 -1.125 0.00 0.00 +0.022 A ATOM 3 C LIG 1 -3.171 0.867 -0.345 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -3.216 2.234 -0.064 0.00 0.00 +0.048 A ATOM 5 N LIG 1 -4.334 2.461 0.703 0.00 0.00 -0.354 N ATOM 6 H LIG 1 -4.612 3.366 1.054 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -5.017 1.292 0.931 0.00 0.00 +0.052 A ATOM 8 C LIG 1 -6.194 1.051 1.655 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -7.100 2.004 2.386 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -7.898 1.038 3.273 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -7.972 -0.298 2.517 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -6.701 -0.255 1.733 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -6.040 -1.267 1.089 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -6.339 -2.692 0.976 0.00 0.00 +0.260 A ATOM 15 O LIG 1 -7.296 -3.261 1.459 0.00 0.00 -0.267 OA ATOM 16 N LIG 1 -5.343 -3.229 0.223 0.00 0.00 -0.289 N ATOM 17 H LIG 1 -5.296 -4.203 -0.032 0.00 0.00 +0.172 HD ATOM 18 C LIG 1 -4.436 -2.298 -0.186 0.00 0.00 +0.260 A ATOM 19 O LIG 1 -3.467 -2.497 -0.890 0.00 0.00 -0.267 OA ATOM 20 C LIG 1 -4.870 -1.021 0.376 0.00 0.00 +0.062 A ATOM 21 C LIG 1 -2.253 3.139 -0.523 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -4.315 0.265 0.275 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -1.202 2.633 -1.293 0.00 0.00 +0.013 A ENDROOT BRANCH 1 24 ATOM 24 C LIG 1 0.039 0.800 -2.418 0.00 0.00 +0.164 C ATOM 25 O LIG 1 0.703 1.624 -3.047 0.00 0.00 -0.292 OA BRANCH 24 26 ATOM 26 C LIG 1 0.340 -0.689 -2.475 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 1.733 -0.954 -3.037 0.00 0.00 +0.104 C BRANCH 27 30 ATOM 28 C LIG 1 5.222 -0.178 -1.747 0.00 0.00 +0.185 C ATOM 29 N LIG 1 4.080 -0.323 -2.657 0.00 0.00 -0.288 N ATOM 30 C LIG 1 2.818 -0.498 -2.070 0.00 0.00 +0.217 C ATOM 31 O LIG 1 2.617 -0.386 -0.862 0.00 0.00 -0.276 OA ATOM 32 C LIG 1 4.164 0.775 -3.617 0.00 0.00 +0.109 C ATOM 33 C LIG 1 5.018 1.857 -2.938 0.00 0.00 +0.021 C ATOM 34 C LIG 1 5.301 1.325 -1.533 0.00 0.00 +0.035 C BRANCH 28 35 ATOM 35 C LIG 1 5.280 -1.099 -0.518 0.00 0.00 +0.328 C ATOM 36 O LIG 1 5.046 -2.302 -0.559 0.00 0.00 -0.249 OA BRANCH 35 37 ATOM 37 O LIG 1 5.693 -0.411 0.581 0.00 0.00 -0.458 OA BRANCH 37 39 ATOM 38 C LIG 1 4.396 -1.573 2.323 0.00 0.00 +0.055 C ATOM 39 C LIG 1 5.769 -1.062 1.875 0.00 0.00 +0.105 C ATOM 40 C LIG 1 6.826 -2.172 1.879 0.00 0.00 +0.055 C ATOM 41 C LIG 1 6.218 0.046 2.840 0.00 0.00 +0.055 C ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 7