REMARK Name = BDB054472 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.896 -1.069 1.863 0.00 0.00 +0.149 C ATOM 2 N LIG 1 -0.442 0.250 1.479 0.00 0.00 -0.344 N ATOM 3 C LIG 1 -1.261 1.333 1.221 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -0.412 2.394 0.933 0.00 0.00 +0.055 A ATOM 5 C LIG 1 0.921 1.923 0.956 0.00 0.00 +0.052 A ATOM 6 C LIG 1 0.873 0.593 1.289 0.00 0.00 +0.109 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.709 1.300 1.332 0.00 0.00 +0.263 C ATOM 8 N LIG 1 -3.449 1.865 0.305 0.00 0.00 -0.292 N ATOM 9 C LIG 1 -4.914 1.912 0.347 0.00 0.00 +0.090 C ATOM 10 C LIG 1 -5.284 2.808 -0.838 0.00 0.00 +0.025 C ATOM 11 C LIG 1 -4.152 2.594 -1.834 0.00 0.00 +0.021 C ATOM 12 C LIG 1 -2.935 2.414 -0.941 0.00 0.00 +0.108 C ATOM 13 O LIG 1 -3.259 0.768 2.296 0.00 0.00 -0.268 OA BRANCH 9 14 ATOM 14 C LIG 1 -5.603 0.514 0.344 0.00 0.00 +0.107 C BRANCH 14 15 ATOM 15 N LIG 1 -5.180 -0.413 -0.726 0.00 0.00 -0.296 NA ATOM 16 C LIG 1 -5.014 -1.784 -0.189 0.00 0.00 +0.112 C ATOM 17 C LIG 1 -5.053 -2.840 -1.302 0.00 0.00 +0.175 C ATOM 18 O LIG 1 -6.324 -2.894 -1.966 0.00 0.00 -0.377 OA ATOM 19 C LIG 1 -7.029 -1.645 -1.933 0.00 0.00 +0.175 C ATOM 20 C LIG 1 -6.092 -0.426 -1.890 0.00 0.00 +0.112 C ENDBRANCH 14 15 ENDBRANCH 9 14 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 N LIG 1 1.999 2.689 0.708 0.00 0.00 -0.282 N ATOM 22 H LIG 1 1.903 3.684 0.551 0.00 0.00 +0.155 HD BRANCH 21 23 ATOM 23 C LIG 1 3.363 2.399 0.619 0.00 0.00 +0.221 A ATOM 24 N LIG 1 3.815 1.136 0.708 0.00 0.00 -0.195 NA ATOM 25 C LIG 1 5.147 1.036 0.587 0.00 0.00 +0.164 A ATOM 26 C LIG 1 6.035 2.075 0.391 0.00 0.00 +0.057 A ATOM 27 C LIG 1 7.297 1.461 0.324 0.00 0.00 +0.146 A ATOM 28 N LIG 1 7.231 0.130 0.450 0.00 0.00 -0.177 NA ATOM 29 C LIG 1 5.486 3.343 0.312 0.00 0.00 +0.127 A ATOM 30 N LIG 1 5.905 -0.108 0.615 0.00 0.00 -0.243 N ATOM 31 N LIG 1 4.144 3.489 0.421 0.00 0.00 -0.222 NA BRANCH 30 32 ATOM 32 C LIG 1 5.383 -1.462 0.750 0.00 0.00 +0.110 C ATOM 33 C LIG 1 5.235 -2.148 -0.624 0.00 0.00 +0.030 C ATOM 34 C LIG 1 6.488 -2.964 -0.789 0.00 0.00 -0.006 C ATOM 35 C LIG 1 7.130 -3.122 0.557 0.00 0.00 -0.006 C ATOM 36 C LIG 1 6.625 -4.334 -0.180 0.00 0.00 +0.007 C ATOM 37 C LIG 1 6.286 -2.403 1.575 0.00 0.00 +0.030 C ENDBRANCH 30 32 ENDBRANCH 21 23 ENDBRANCH 5 21 TORSDOF 6