REMARK Name = BDB020664 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.585 1.786 -0.467 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.075 0.428 -0.716 0.00 0.00 -0.017 A ATOM 3 C LIG 1 1.099 -0.596 -1.139 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.264 0.199 -0.588 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -2.105 1.319 -0.332 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -1.629 2.619 -0.171 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -2.694 3.469 0.042 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -3.867 2.690 0.009 0.00 0.00 +0.018 A ATOM 9 C LIG 1 -3.483 1.386 -0.222 0.00 0.00 +0.101 A ATOM 10 C LIG 1 -0.227 2.830 -0.225 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -5.347 3.133 0.185 0.00 0.00 +0.070 A ATOM 12 N LIG 1 -5.860 4.385 0.410 0.00 0.00 -0.333 N ATOM 13 C LIG 1 -5.143 5.626 0.537 0.00 0.00 +0.150 C ATOM 14 C LIG 1 -7.221 4.267 0.495 0.00 0.00 +0.199 A ATOM 15 N LIG 1 -7.612 3.024 0.339 0.00 0.00 -0.243 NA ATOM 16 C LIG 1 -6.456 2.312 0.145 0.00 0.00 +0.138 A ENDBRANCH 8 11 BRANCH 1 19 ATOM 17 N LIG 1 2.586 1.564 0.798 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.004 0.996 1.404 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 2.042 2.078 -0.353 0.00 0.00 +0.245 C ATOM 20 O LIG 1 2.654 2.706 -1.206 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 4.011 1.475 1.013 0.00 0.00 +0.145 C BRANCH 21 28 ATOM 22 C LIG 1 5.565 -3.996 -0.214 0.00 0.00 +0.063 C ATOM 23 C LIG 1 5.220 -2.558 0.020 0.00 0.00 +0.016 A ATOM 24 N LIG 1 4.461 -2.268 1.126 0.00 0.00 -0.326 N ATOM 25 H LIG 1 4.145 -3.015 1.732 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 4.045 -1.009 1.472 0.00 0.00 +0.254 A ATOM 27 O LIG 1 3.330 -0.820 2.454 0.00 0.00 -0.268 OA ATOM 28 C LIG 1 4.479 0.117 0.576 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.226 -0.178 -0.511 0.00 0.00 -0.039 A ATOM 30 C LIG 1 5.715 0.815 -1.531 0.00 0.00 +0.044 C ATOM 31 C LIG 1 5.603 -1.558 -0.787 0.00 0.00 +0.024 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 32 ATOM 32 C LIG 1 -1.927 -1.187 -0.686 0.00 0.00 +0.101 C ATOM 33 C LIG 1 -2.265 -1.441 -2.168 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 -1.133 -2.275 -0.070 0.00 0.00 -0.290 NA ATOM 35 C LIG 1 -0.916 -2.109 1.375 0.00 0.00 +0.113 C ATOM 36 C LIG 1 0.110 -3.144 1.885 0.00 0.00 +0.175 C ATOM 37 O LIG 1 -0.035 -4.461 1.331 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -1.328 -4.665 0.766 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -1.645 -3.634 -0.338 0.00 0.00 +0.113 C ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 6