REMARK Name = BDB027569 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.041 -0.294 -0.629 0.00 0.00 +0.247 C ATOM 2 N LIG 1 1.992 -0.086 0.351 0.00 0.00 -0.296 N ATOM 3 C LIG 1 3.410 -0.137 0.020 0.00 0.00 +0.130 C ATOM 4 C LIG 1 4.119 0.613 1.159 0.00 0.00 +0.092 C ATOM 5 C LIG 1 3.156 0.411 2.333 0.00 0.00 +0.043 C ATOM 6 C LIG 1 1.790 0.491 1.672 0.00 0.00 +0.110 C ATOM 7 O LIG 1 1.314 -0.568 -1.794 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 -3.108 0.096 0.339 0.00 0.00 +0.069 A ATOM 9 C LIG 1 -2.503 0.903 -0.637 0.00 0.00 +0.145 A ATOM 10 F LIG 1 -3.244 1.816 -1.287 0.00 0.00 -0.204 F ATOM 11 C LIG 1 -1.154 0.787 -0.952 0.00 0.00 +0.053 A ATOM 12 C LIG 1 -0.384 -0.152 -0.270 0.00 0.00 +0.040 A ATOM 13 C LIG 1 -0.969 -0.990 0.685 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -2.329 -0.859 0.994 0.00 0.00 +0.027 A BRANCH 8 16 ATOM 15 C LIG 1 -5.269 -0.314 1.521 0.00 0.00 +0.241 C ATOM 16 N LIG 1 -4.484 0.302 0.578 0.00 0.00 -0.280 N ATOM 17 H LIG 1 -4.909 1.025 0.009 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -4.907 -1.104 2.385 0.00 0.00 -0.271 OA BRANCH 15 20 ATOM 19 C LIG 1 -7.390 0.399 0.386 0.00 0.00 -0.007 C ATOM 20 C LIG 1 -6.696 0.108 1.499 0.00 0.00 +0.064 C BRANCH 19 21 ATOM 21 C LIG 1 -8.844 0.782 0.397 0.00 0.00 +0.111 C BRANCH 21 23 ATOM 22 C LIG 1 -9.781 -1.464 0.283 0.00 0.00 +0.104 C ATOM 23 N LIG 1 -9.748 -0.129 -0.307 0.00 0.00 -0.305 NA ATOM 24 C LIG 1 -9.517 -0.187 -1.746 0.00 0.00 +0.104 C ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 15 20 ENDBRANCH 8 16 ENDBRANCH 1 12 BRANCH 4 25 ATOM 25 N LIG 1 5.432 0.087 1.495 0.00 0.00 -0.309 N ATOM 26 H LIG 1 5.467 -0.890 1.768 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 6.397 0.235 0.509 0.00 0.00 +0.216 A ATOM 28 N LIG 1 7.298 -0.752 0.437 0.00 0.00 -0.215 NA ATOM 29 C LIG 1 8.250 -0.668 -0.503 0.00 0.00 +0.076 A ATOM 30 C LIG 1 8.322 0.399 -1.400 0.00 0.00 +0.019 A ATOM 31 C LIG 1 9.332 0.464 -2.381 0.00 0.00 +0.011 A ATOM 32 C LIG 1 10.281 -0.550 -2.466 0.00 0.00 +0.001 A ATOM 33 C LIG 1 10.221 -1.619 -1.578 0.00 0.00 +0.002 A ATOM 34 C LIG 1 7.337 1.358 -1.243 0.00 0.00 +0.124 A ATOM 35 C LIG 1 9.211 -1.667 -0.610 0.00 0.00 +0.028 A ATOM 36 N LIG 1 6.372 1.296 -0.307 0.00 0.00 -0.222 NA ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 7