REMARK Name = BDB004999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.801 -1.402 -1.696 0.00 0.00 +0.103 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.370 -1.406 -2.221 0.00 0.00 -0.025 A ATOM 3 C LIG 1 0.750 -1.241 -1.388 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.057 -1.266 -1.901 0.00 0.00 +0.034 A ATOM 5 C LIG 1 2.241 -1.453 -3.271 0.00 0.00 +0.023 A ATOM 6 C LIG 1 1.141 -1.598 -4.117 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -0.152 -1.570 -3.598 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.112 -1.080 -0.982 0.00 0.00 -0.280 N ATOM 9 H LIG 1 2.832 -0.898 -0.031 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 4.469 -1.138 -1.230 0.00 0.00 +0.266 C ATOM 11 O LIG 1 4.987 -1.444 -2.298 0.00 0.00 -0.268 OA BRANCH 10 12 ATOM 12 C LIG 1 5.296 -0.815 -0.090 0.00 0.00 +0.121 A ATOM 13 N LIG 1 6.664 -0.918 -0.161 0.00 0.00 -0.272 N ATOM 14 H LIG 1 7.209 -1.218 -0.966 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 7.300 -0.573 0.970 0.00 0.00 -0.178 NA ATOM 16 C LIG 1 6.308 -0.219 1.785 0.00 0.00 +0.067 A ATOM 17 C LIG 1 5.039 -0.359 1.190 0.00 0.00 +0.057 A BRANCH 16 18 ATOM 18 C LIG 1 6.549 0.277 3.233 0.00 0.00 +0.040 C ATOM 19 C LIG 1 7.512 1.416 3.456 0.00 0.00 +0.010 C ATOM 20 C LIG 1 6.040 1.631 3.657 0.00 0.00 +0.010 C ENDBRANCH 16 18 ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 N LIG 1 -2.465 -0.128 -1.998 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -3.476 -0.223 -2.015 0.00 0.00 +0.148 HD BRANCH 21 26 ATOM 23 C LIG 1 -2.930 4.664 -1.523 0.00 0.00 +0.063 A ATOM 24 C LIG 1 -2.351 3.449 -1.097 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -2.693 2.280 -1.806 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -2.121 1.069 -1.354 0.00 0.00 +0.130 A ATOM 27 N LIG 1 -1.258 1.035 -0.330 0.00 0.00 -0.220 NA ATOM 28 C LIG 1 -0.985 2.193 0.266 0.00 0.00 +0.223 A ATOM 29 C LIG 1 -3.561 2.357 -2.925 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -4.111 3.563 -3.333 0.00 0.00 +0.002 A ATOM 31 N LIG 1 -1.496 3.386 -0.052 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 -3.801 4.713 -2.628 0.00 0.00 +0.015 A BRANCH 23 36 ATOM 33 N LIG 1 -1.849 6.003 0.234 0.00 0.00 -0.325 N ATOM 34 H LIG 1 -1.388 5.157 0.558 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 -1.651 6.889 0.677 0.00 0.00 +0.145 HD ATOM 36 C LIG 1 -2.672 5.977 -0.852 0.00 0.00 +0.244 C ATOM 37 O LIG 1 -3.185 7.016 -1.254 0.00 0.00 -0.270 OA ENDBRANCH 23 36 ENDBRANCH 21 26 ENDBRANCH 1 21 BRANCH 1 38 ATOM 38 C LIG 1 -2.005 -1.921 -0.255 0.00 0.00 +0.042 C BRANCH 38 39 ATOM 39 C LIG 1 -3.490 -2.153 0.065 0.00 0.00 +0.086 C BRANCH 39 40 ATOM 40 N LIG 1 -3.815 -2.764 1.350 0.00 0.00 -0.302 NA ATOM 41 C LIG 1 -3.274 -4.097 1.581 0.00 0.00 +0.084 C ATOM 42 C LIG 1 -3.701 -4.345 3.015 0.00 0.00 +0.017 C ATOM 43 C LIG 1 -3.605 -2.974 3.680 0.00 0.00 +0.017 C ATOM 44 C LIG 1 -3.478 -1.975 2.532 0.00 0.00 +0.084 C ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 1 38 TORSDOF 10