REMARK Name = BDB008036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.365 0.974 -0.375 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.804 1.928 -0.180 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.198 1.684 -0.490 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -2.914 2.828 -0.142 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -4.302 2.946 -0.298 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -4.987 1.857 -0.835 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -4.314 0.700 -1.208 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -6.694 1.953 -1.043 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -2.011 3.737 0.337 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -2.243 4.671 0.652 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -2.925 0.604 -1.045 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -0.734 3.227 0.341 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 0.346 4.045 0.828 0.00 0.00 +0.354 C ATOM 14 O LIG 1 0.258 5.203 1.205 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 1.521 3.397 0.870 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 2.142 4.072 1.214 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -0.245 -0.935 1.059 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -0.322 -0.211 1.764 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -0.016 -0.525 -0.246 0.00 0.00 +0.239 C ATOM 20 O LIG 1 -0.115 -1.276 -1.214 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -1.984 -2.689 0.865 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -0.621 -2.300 1.458 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -0.731 -2.331 2.994 0.00 0.00 +0.031 C ATOM 24 C LIG 1 0.453 -3.314 1.034 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 1.092 1.273 -1.618 0.00 0.00 -0.284 N ATOM 26 C LIG 1 0.459 1.277 -2.845 0.00 0.00 +0.329 C ATOM 27 O LIG 1 1.015 1.401 -3.930 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 2.552 1.254 -1.585 0.00 0.00 +0.145 C BRANCH 28 29 ATOM 29 C LIG 1 3.126 -0.136 -1.401 0.00 0.00 -0.012 A ATOM 30 C LIG 1 3.701 -0.585 -0.201 0.00 0.00 +0.047 A ATOM 31 CL LIG 1 3.838 0.428 1.194 0.00 0.00 -0.083 Cl ATOM 32 C LIG 1 4.184 -1.893 -0.084 0.00 0.00 +0.040 A ATOM 33 C LIG 1 4.094 -2.764 -1.164 0.00 0.00 +0.042 A ATOM 34 CL LIG 1 4.677 -4.376 -1.011 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 3.535 -2.342 -2.364 0.00 0.00 +0.020 A ATOM 36 C LIG 1 3.056 -1.036 -2.482 0.00 0.00 +0.008 A ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 8