REMARK Name = BDB021065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.096 0.852 -1.261 0.00 0.00 +0.011 A ATOM 2 C LIG 1 1.169 0.599 -0.661 0.00 0.00 +0.011 A ATOM 3 C LIG 1 2.129 1.630 -0.619 0.00 0.00 +0.072 A ATOM 4 N LIG 1 3.341 1.476 -0.062 0.00 0.00 -0.245 NA ATOM 5 C LIG 1 3.677 0.280 0.491 0.00 0.00 +0.092 A ATOM 6 C LIG 1 2.812 -0.807 0.491 0.00 0.00 +0.078 A ATOM 7 C LIG 1 1.818 2.864 -1.172 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.586 3.114 -1.774 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.551 -0.634 -0.086 0.00 0.00 +0.031 A ATOM 10 C LIG 1 -0.370 2.107 -1.822 0.00 0.00 +0.011 A ENDROOT BRANCH 1 22 ATOM 11 C LIG 1 -5.753 3.748 1.575 0.00 0.00 +0.129 C ATOM 12 N LIG 1 -4.939 2.748 0.926 0.00 0.00 -0.302 N ATOM 13 H LIG 1 -4.645 2.981 -0.010 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 -5.252 1.420 1.089 0.00 0.00 +0.302 C ATOM 15 N LIG 1 -4.414 0.539 0.413 0.00 0.00 -0.278 N ATOM 16 C LIG 1 -3.024 0.894 0.124 0.00 0.00 +0.164 C ATOM 17 C LIG 1 -2.363 -0.128 -0.731 0.00 0.00 +0.064 A ATOM 18 N LIG 1 -2.939 -1.339 -1.051 0.00 0.00 -0.328 N ATOM 19 C LIG 1 -2.062 -2.039 -1.837 0.00 0.00 +0.114 A ATOM 20 N LIG 1 -0.944 -1.357 -1.993 0.00 0.00 -0.232 NA ATOM 21 C LIG 1 -4.265 -1.706 -0.608 0.00 0.00 +0.142 C ATOM 22 C LIG 1 -1.120 -0.173 -1.328 0.00 0.00 +0.094 A ATOM 23 C LIG 1 -4.681 -0.886 0.607 0.00 0.00 +0.131 C ATOM 24 O LIG 1 -6.200 1.050 1.776 0.00 0.00 -0.253 OA BRANCH 19 25 ATOM 25 C LIG 1 -2.203 -3.431 -2.529 0.00 0.00 +0.055 C ATOM 26 C LIG 1 -3.515 -4.113 -2.784 0.00 0.00 +0.012 C ATOM 27 C LIG 1 -2.588 -4.641 -1.724 0.00 0.00 +0.012 C ENDBRANCH 19 25 ENDBRANCH 1 22 BRANCH 5 28 ATOM 28 C LIG 1 5.018 0.258 1.056 0.00 0.00 +0.042 A ATOM 29 C LIG 1 6.224 0.835 0.567 0.00 0.00 +0.069 A ATOM 30 C LIG 1 6.432 1.597 -0.690 0.00 0.00 +0.068 C ATOM 31 N LIG 1 7.254 0.615 1.395 0.00 0.00 -0.176 NA ATOM 32 N LIG 1 6.711 -0.070 2.414 0.00 0.00 -0.274 N ATOM 33 C LIG 1 7.546 -0.481 3.517 0.00 0.00 +0.172 C ATOM 34 C LIG 1 5.372 -0.290 2.273 0.00 0.00 +0.118 A ENDBRANCH 5 28 BRANCH 6 35 ATOM 35 C LIG 1 3.159 -2.086 1.028 0.00 0.00 +0.101 C ATOM 36 N LIG 1 3.410 -3.127 1.477 0.00 0.00 -0.191 NA ENDBRANCH 6 35 TORSDOF 4