REMARK Name = BDB020684 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.603 -1.021 -0.796 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.193 -1.296 -1.113 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.163 -2.760 -1.224 0.00 0.00 +0.046 C ATOM 4 C LIG 1 0.677 -0.249 -1.261 0.00 0.00 +0.044 A ATOM 5 N LIG 1 0.162 1.067 -1.057 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -1.179 1.325 -0.760 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -1.373 2.683 -0.642 0.00 0.00 +0.039 A ATOM 8 C LIG 1 -0.124 3.304 -0.838 0.00 0.00 +0.036 A ATOM 9 C LIG 1 0.791 2.305 -1.076 0.00 0.00 +0.103 A ATOM 10 C LIG 1 -2.070 0.230 -0.641 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 0.120 4.848 -0.770 0.00 0.00 +0.142 A ATOM 12 N LIG 1 1.297 5.539 -0.937 0.00 0.00 -0.333 N ATOM 13 C LIG 1 2.602 4.998 -1.216 0.00 0.00 +0.150 C ATOM 14 C LIG 1 1.027 6.874 -0.789 0.00 0.00 +0.107 A ATOM 15 C LIG 1 -0.319 6.941 -0.535 0.00 0.00 +0.131 A ATOM 16 N LIG 1 -0.869 5.689 -0.525 0.00 0.00 -0.236 NA ENDBRANCH 8 11 BRANCH 1 19 ATOM 17 N LIG 1 -3.114 -2.240 0.607 0.00 0.00 -0.307 N ATOM 18 H LIG 1 -2.813 -1.600 1.334 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -2.619 -2.107 -0.665 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -2.943 -2.805 -1.618 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 -4.192 -3.143 0.932 0.00 0.00 +0.145 C BRANCH 21 28 ATOM 22 C LIG 1 -9.067 -0.030 1.549 0.00 0.00 +0.063 C ATOM 23 C LIG 1 -7.848 -0.861 1.298 0.00 0.00 +0.016 A ATOM 24 N LIG 1 -6.870 -0.847 2.261 0.00 0.00 -0.326 N ATOM 25 H LIG 1 -6.986 -0.285 3.095 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 -5.689 -1.538 2.179 0.00 0.00 +0.254 A ATOM 27 O LIG 1 -4.842 -1.461 3.064 0.00 0.00 -0.268 OA ATOM 28 C LIG 1 -5.482 -2.377 0.951 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -6.452 -2.390 0.009 0.00 0.00 -0.039 A ATOM 30 C LIG 1 -6.407 -3.162 -1.282 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -7.663 -1.601 0.195 0.00 0.00 +0.024 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 32 ATOM 32 C LIG 1 2.138 -0.498 -1.685 0.00 0.00 +0.101 C ATOM 33 C LIG 1 2.787 0.491 -2.670 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 3.002 -0.891 -0.555 0.00 0.00 -0.294 NA ATOM 35 C LIG 1 3.293 0.118 0.462 0.00 0.00 +0.086 C ATOM 36 C LIG 1 4.761 0.541 0.516 0.00 0.00 +0.034 C ATOM 37 C LIG 1 5.721 -0.653 0.703 0.00 0.00 +0.058 C ATOM 38 C LIG 1 5.074 -1.975 0.248 0.00 0.00 +0.034 C ATOM 39 C LIG 1 4.144 -1.724 -0.938 0.00 0.00 +0.086 C BRANCH 37 40 ATOM 40 N LIG 1 6.357 -0.675 2.039 0.00 0.00 -0.305 NA ATOM 41 C LIG 1 5.433 -0.890 3.151 0.00 0.00 +0.104 C ATOM 42 C LIG 1 7.461 -1.634 2.110 0.00 0.00 +0.104 C ENDBRANCH 37 40 ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 7