REMARK Name = BDB022343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.217 -0.077 -2.543 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -1.869 -0.604 -3.115 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.763 0.375 -1.329 0.00 0.00 +0.033 A ATOM 4 C LIG 1 -3.160 0.390 -1.186 0.00 0.00 +0.035 A ATOM 5 C LIG 1 -3.807 0.922 -0.045 0.00 0.00 +0.021 A ATOM 6 C LIG 1 -5.295 0.966 0.064 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -5.807 1.356 1.241 0.00 0.00 +0.093 A ATOM 8 C LIG 1 -4.997 1.806 2.390 0.00 0.00 +0.253 A ATOM 9 N LIG 1 -3.627 1.869 2.210 0.00 0.00 -0.311 N ATOM 10 C LIG 1 -2.816 2.361 3.312 0.00 0.00 +0.152 C ATOM 11 O LIG 1 -5.582 2.115 3.425 0.00 0.00 -0.268 OA ATOM 12 C LIG 1 -3.010 1.411 1.008 0.00 0.00 +0.054 A ATOM 13 C LIG 1 -1.615 1.423 0.858 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.007 0.931 -0.303 0.00 0.00 +0.025 A BRANCH 6 15 ATOM 15 N LIG 1 -6.042 0.600 -1.059 0.00 0.00 -0.326 N ATOM 16 H LIG 1 -5.569 0.863 -1.923 0.00 0.00 +0.148 HD BRANCH 15 17 ATOM 17 C LIG 1 -7.516 0.818 -1.126 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -8.324 -0.291 -1.784 0.00 0.00 +0.044 C ATOM 19 C LIG 1 -8.455 -0.050 -0.312 0.00 0.00 +0.044 C BRANCH 17 20 ATOM 20 C LIG 1 -7.936 2.179 -1.427 0.00 0.00 +0.088 C ATOM 21 N LIG 1 -8.254 3.261 -1.700 0.00 0.00 -0.194 NA ENDBRANCH 17 20 ENDBRANCH 15 17 ENDBRANCH 6 15 ENDBRANCH 1 3 BRANCH 1 24 ATOM 22 C LIG 1 2.350 -0.725 -2.355 0.00 0.00 +0.220 A ATOM 23 N LIG 1 1.081 -0.498 -1.975 0.00 0.00 -0.198 NA ATOM 24 C LIG 1 0.119 -0.381 -2.915 0.00 0.00 +0.147 A ATOM 25 C LIG 1 0.420 -0.504 -4.265 0.00 0.00 +0.099 A ATOM 26 CL LIG 1 -0.759 -0.383 -5.513 0.00 0.00 -0.078 Cl ATOM 27 C LIG 1 1.737 -0.731 -4.572 0.00 0.00 +0.137 A ATOM 28 N LIG 1 2.707 -0.840 -3.645 0.00 0.00 -0.221 NA BRANCH 22 32 ATOM 29 C LIG 1 5.447 -1.110 0.504 0.00 0.00 +0.078 C ATOM 30 C LIG 1 3.994 -1.480 0.864 0.00 0.00 +0.032 C ATOM 31 C LIG 1 2.950 -0.760 0.005 0.00 0.00 +0.108 C ATOM 32 N LIG 1 3.336 -0.875 -1.392 0.00 0.00 -0.300 N ATOM 33 C LIG 1 4.658 -0.398 -1.790 0.00 0.00 +0.108 C ATOM 34 C LIG 1 5.499 -0.020 -0.574 0.00 0.00 +0.032 C BRANCH 29 37 ATOM 35 C LIG 1 6.594 -3.069 2.391 0.00 0.00 +0.131 C ATOM 36 N LIG 1 6.567 -1.644 2.685 0.00 0.00 -0.307 N ATOM 37 C LIG 1 6.216 -0.668 1.752 0.00 0.00 +0.218 C ATOM 38 O LIG 1 6.483 0.522 1.932 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 7.388 -1.219 3.807 0.00 0.00 +0.131 C ENDBRANCH 29 37 ENDBRANCH 22 32 ENDBRANCH 1 24 TORSDOF 7