REMARK Name = BDB059865 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.525 -0.808 -1.583 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.176 -0.882 -1.202 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.824 -0.173 -1.891 0.00 0.00 -0.027 A ATOM 4 C LIG 1 -2.257 -0.284 -1.419 0.00 0.00 +0.143 C ATOM 5 N LIG 1 -3.198 0.579 -2.133 0.00 0.00 -0.293 N ATOM 6 C LIG 1 -2.914 0.807 -3.544 0.00 0.00 +0.113 C ATOM 7 C LIG 1 -1.523 1.407 -3.732 0.00 0.00 +0.054 C ATOM 8 C LIG 1 -4.490 0.832 -1.673 0.00 0.00 +0.247 C ATOM 9 O LIG 1 -5.383 1.323 -2.358 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.472 0.613 -2.999 0.00 0.00 -0.041 A ATOM 11 C LIG 1 0.870 0.710 -3.378 0.00 0.00 +0.004 A ATOM 12 C LIG 1 1.853 0.008 -2.679 0.00 0.00 +0.004 A ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -4.805 0.488 -0.264 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -5.502 -0.714 0.005 0.00 0.00 -0.035 A ATOM 15 C LIG 1 -5.974 -1.592 -1.127 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -5.803 -1.029 1.344 0.00 0.00 -0.047 A ATOM 17 C LIG 1 -6.574 -2.266 1.720 0.00 0.00 +0.044 C ATOM 18 C LIG 1 -5.355 -0.179 2.369 0.00 0.00 +0.007 A ATOM 19 C LIG 1 -4.651 1.006 2.101 0.00 0.00 -0.047 A ATOM 20 C LIG 1 -4.217 1.866 3.258 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -4.406 1.375 0.765 0.00 0.00 -0.035 A ATOM 22 C LIG 1 -3.681 2.657 0.436 0.00 0.00 +0.045 C ENDBRANCH 8 13 BRANCH 1 23 ATOM 23 C LIG 1 2.651 -1.549 -0.855 0.00 0.00 +0.063 C BRANCH 23 28 ATOM 24 N LIG 1 5.995 1.920 2.120 0.00 0.00 -0.244 N ATOM 25 C LIG 1 5.401 1.029 1.267 0.00 0.00 +0.089 A ATOM 26 C LIG 1 4.077 1.031 1.679 0.00 0.00 +0.116 A ATOM 27 C LIG 1 3.112 0.210 1.043 0.00 0.00 -0.017 A ATOM 28 C LIG 1 3.556 -0.595 -0.046 0.00 0.00 -0.034 A ATOM 29 C LIG 1 4.921 -0.551 -0.430 0.00 0.00 +0.007 A ATOM 30 C LIG 1 1.689 0.268 1.514 0.00 0.00 +0.046 C ATOM 31 N LIG 1 3.931 1.915 2.723 0.00 0.00 -0.129 NA ATOM 32 C LIG 1 5.868 0.250 0.214 0.00 0.00 +0.030 A ATOM 33 N LIG 1 5.113 2.457 2.981 0.00 0.00 -0.065 NA BRANCH 24 35 ATOM 34 C LIG 1 7.677 3.516 1.298 0.00 0.00 +0.029 C ATOM 35 C LIG 1 7.385 2.314 2.178 0.00 0.00 +0.142 C ENDBRANCH 24 35 ENDBRANCH 23 28 BRANCH 23 36 ATOM 36 C LIG 1 2.263 -2.845 -0.086 0.00 0.00 +0.106 C ATOM 37 C LIG 1 1.593 -3.908 -0.970 0.00 0.00 +0.020 C BRANCH 36 38 ATOM 38 C LIG 1 3.468 -3.471 0.598 0.00 0.00 +0.308 C ATOM 39 O LIG 1 3.595 -3.529 1.812 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 4.399 -3.985 -0.237 0.00 0.00 -0.480 OA ATOM 41 H LIG 1 4.192 -3.924 -1.187 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 36 38 ENDBRANCH 23 36 ENDBRANCH 1 23 TORSDOF 7