REMARK Name = BDB004996 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.156 -2.396 -0.680 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -0.008 -1.752 -0.183 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.251 -2.007 -0.732 0.00 0.00 +0.034 A ATOM 4 C LIG 1 1.357 -2.921 -1.788 0.00 0.00 +0.023 A ATOM 5 C LIG 1 0.223 -3.556 -2.298 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.030 -3.290 -1.750 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.443 -1.403 -0.280 0.00 0.00 -0.281 N ATOM 8 H LIG 1 3.286 -1.691 -0.759 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 2.568 -0.397 0.662 0.00 0.00 +0.248 C ATOM 10 O LIG 1 1.658 0.208 1.216 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 3.970 0.001 0.973 0.00 0.00 +0.037 A ATOM 12 C LIG 1 5.014 -0.929 1.001 0.00 0.00 +0.014 A ATOM 13 C LIG 1 6.314 -0.505 1.297 0.00 0.00 +0.012 A ATOM 14 C LIG 1 6.596 0.842 1.582 0.00 0.00 +0.017 A ATOM 15 C LIG 1 5.537 1.761 1.565 0.00 0.00 +0.012 A ATOM 16 C LIG 1 4.234 1.343 1.269 0.00 0.00 +0.014 A BRANCH 14 17 ATOM 17 C LIG 1 7.979 1.230 1.883 0.00 0.00 +0.138 A ATOM 18 N LIG 1 8.361 2.452 2.391 0.00 0.00 -0.344 N ATOM 19 H LIG 1 7.739 3.213 2.621 0.00 0.00 +0.167 HD ATOM 20 C LIG 1 9.719 2.453 2.545 0.00 0.00 +0.104 A ATOM 21 C LIG 1 10.123 1.212 2.126 0.00 0.00 +0.130 A ATOM 22 N LIG 1 9.047 0.465 1.725 0.00 0.00 -0.236 NA ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 C LIG 1 -2.516 -2.090 -0.093 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 -3.158 -1.078 -0.922 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.554 -0.265 -1.017 0.00 0.00 +0.148 HD BRANCH 24 29 ATOM 26 C LIG 1 -7.082 1.728 -1.392 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -6.379 0.725 -0.692 0.00 0.00 +0.088 A ATOM 28 C LIG 1 -5.122 0.337 -1.197 0.00 0.00 +0.041 A ATOM 29 C LIG 1 -4.429 -0.657 -0.475 0.00 0.00 +0.130 A ATOM 30 N LIG 1 -4.948 -1.243 0.614 0.00 0.00 -0.220 NA ATOM 31 C LIG 1 -6.144 -0.814 1.010 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -4.617 0.931 -2.382 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -5.326 1.913 -3.058 0.00 0.00 +0.002 A ATOM 34 N LIG 1 -6.875 0.140 0.422 0.00 0.00 -0.235 NA ATOM 35 C LIG 1 -6.556 2.314 -2.560 0.00 0.00 +0.015 A BRANCH 26 39 ATOM 36 N LIG 1 -8.974 1.746 0.179 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -8.509 1.011 0.705 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -9.889 2.066 0.462 0.00 0.00 +0.145 HD ATOM 39 C LIG 1 -8.420 2.244 -0.962 0.00 0.00 +0.244 C ATOM 40 O LIG 1 -9.019 3.097 -1.609 0.00 0.00 -0.270 OA ENDBRANCH 26 39 ENDBRANCH 24 29 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 7