REMARK Name = BDB008041 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.214 -0.958 -0.591 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.670 0.496 -0.464 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.024 1.597 0.222 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -1.842 2.720 0.086 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -1.541 3.971 0.644 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -0.347 4.090 1.355 0.00 0.00 +0.043 A ATOM 7 C LIG 1 0.511 3.009 1.501 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 0.074 5.609 2.049 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -2.916 2.344 -0.673 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -3.668 2.954 -0.964 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 0.182 1.766 0.941 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -2.776 1.053 -1.119 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 -3.659 0.481 -2.098 0.00 0.00 +0.354 C ATOM 14 O LIG 1 -3.516 -0.550 -2.732 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 -4.732 1.274 -2.306 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 -5.238 0.770 -2.977 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -3.363 -1.789 0.348 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -3.077 -1.170 1.111 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -2.331 -2.040 -0.542 0.00 0.00 +0.239 C ATOM 20 O LIG 1 -2.211 -3.101 -1.157 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -3.873 -3.984 1.367 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -4.437 -2.735 0.672 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -5.405 -2.029 1.638 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -5.226 -3.137 -0.584 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 -0.205 -1.375 0.395 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -0.496 -1.373 1.746 0.00 0.00 +0.329 C ATOM 27 O LIG 1 -1.547 -1.003 2.255 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 0.940 -2.137 -0.089 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 2.158 -1.261 -0.244 0.00 0.00 -0.030 A ATOM 30 C LIG 1 2.324 -0.469 -1.387 0.00 0.00 +0.006 A ATOM 31 C LIG 1 3.421 0.392 -1.501 0.00 0.00 +0.009 A ATOM 32 C LIG 1 4.380 0.484 -0.482 0.00 0.00 -0.018 A ATOM 33 C LIG 1 4.212 -0.321 0.655 0.00 0.00 +0.009 A ATOM 34 C LIG 1 3.115 -1.180 0.776 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 5.523 1.403 -0.598 0.00 0.00 -0.018 A ATOM 36 C LIG 1 6.843 0.939 -0.463 0.00 0.00 +0.008 A ATOM 37 C LIG 1 7.928 1.814 -0.570 0.00 0.00 +0.001 A ATOM 38 C LIG 1 7.711 3.167 -0.814 0.00 0.00 +0.000 A ATOM 39 C LIG 1 6.411 3.647 -0.951 0.00 0.00 +0.001 A ATOM 40 C LIG 1 5.327 2.772 -0.844 0.00 0.00 +0.008 A ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 9