REMARK Name = BDB026525 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.044 1.085 0.116 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -1.220 1.603 0.416 0.00 0.00 +0.305 C ATOM 3 O LIG 1 -1.648 2.692 0.077 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -1.910 0.628 1.152 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -0.991 -0.420 1.535 0.00 0.00 +0.128 C ATOM 6 C LIG 1 0.105 -0.311 0.487 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 0.851 1.668 -0.941 0.00 0.00 +0.164 C BRANCH 7 11 ATOM 8 C LIG 1 5.022 0.652 -0.950 0.00 0.00 +0.052 A ATOM 9 C LIG 1 4.280 0.810 0.214 0.00 0.00 +0.134 A ATOM 10 N LIG 1 2.957 1.122 0.237 0.00 0.00 -0.256 NA ATOM 11 C LIG 1 2.317 1.282 -0.947 0.00 0.00 +0.059 A ATOM 12 C LIG 1 2.990 1.159 -2.160 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.349 0.838 -2.157 0.00 0.00 +0.026 A BRANCH 8 16 ATOM 14 O LIG 1 6.896 0.069 1.246 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 7.229 0.063 0.066 0.00 0.00 +0.220 C ATOM 16 N LIG 1 6.393 0.323 -1.008 0.00 0.00 -0.284 N ATOM 17 H LIG 1 6.799 0.269 -1.933 0.00 0.00 +0.155 HD BRANCH 15 18 ATOM 18 C LIG 1 8.661 -0.259 -0.375 0.00 0.00 +0.080 C ATOM 19 C LIG 1 9.626 -0.301 0.821 0.00 0.00 +0.041 C ATOM 20 C LIG 1 9.694 -1.708 1.398 0.00 0.00 +0.160 C ATOM 21 O LIG 1 10.168 -2.674 0.458 0.00 0.00 -0.380 OA ATOM 22 C LIG 1 9.982 -2.339 -0.914 0.00 0.00 +0.160 C ATOM 23 C LIG 1 8.685 -1.583 -1.156 0.00 0.00 +0.041 C ENDBRANCH 15 18 ENDBRANCH 8 16 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 24 ATOM 24 C LIG 1 -3.084 0.938 1.947 0.00 0.00 +0.142 C BRANCH 24 25 ATOM 25 C LIG 1 -4.312 1.453 1.163 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 -5.361 1.642 2.134 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -5.888 0.824 2.169 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -4.745 0.454 0.056 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -5.722 0.953 -0.939 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -6.992 1.447 -0.385 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -7.895 0.355 0.146 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -7.838 -0.942 -0.399 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -8.712 -1.931 0.072 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -9.645 -1.631 1.065 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -9.713 -0.344 1.593 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.799 -1.287 -1.441 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -8.845 0.647 1.134 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -6.024 -0.064 -1.963 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 9