REMARK Name = BDB024309 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.967 -2.311 -0.991 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.192 -2.793 -2.419 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.460 -3.864 -2.960 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.685 -4.290 -4.271 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.648 -3.660 -5.055 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -4.394 -2.609 -4.529 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -4.171 -2.181 -3.218 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.451 -2.119 -0.696 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -1.019 -0.841 -0.980 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -1.685 -0.156 -1.309 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.752 -3.029 -0.249 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 0.229 -0.273 -0.743 0.00 0.00 +0.125 A ATOM 13 N LIG 1 0.260 1.048 -0.993 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 1.419 1.704 -0.718 0.00 0.00 +0.136 A ATOM 15 C LIG 1 2.584 1.137 -0.193 0.00 0.00 +0.048 A ATOM 16 C LIG 1 2.508 -0.246 -0.005 0.00 0.00 +0.028 A ATOM 17 C LIG 1 1.331 -0.959 -0.267 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 3.720 1.865 0.093 0.00 0.00 -0.328 N ATOM 19 C LIG 1 4.835 1.330 0.885 0.00 0.00 +0.116 C ATOM 20 C LIG 1 5.548 2.567 1.415 0.00 0.00 +0.034 C ATOM 21 C LIG 1 5.325 2.857 2.910 0.00 0.00 +0.170 C ATOM 22 O LIG 1 6.752 2.905 3.152 0.00 0.00 -0.378 OA ATOM 23 C LIG 1 7.022 2.435 1.812 0.00 0.00 +0.170 C ATOM 24 C LIG 1 5.164 3.694 0.468 0.00 0.00 +0.032 C ATOM 25 C LIG 1 3.728 3.332 0.092 0.00 0.00 +0.106 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -3.604 -3.247 -0.038 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -3.112 -4.139 -0.135 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.534 -2.850 1.375 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.272 -1.550 1.762 0.00 0.00 +0.050 C BRANCH 29 33 ATOM 30 C LIG 1 -1.929 2.080 1.455 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -3.151 1.971 0.783 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -3.910 0.801 0.889 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -3.452 -0.280 1.659 0.00 0.00 -0.046 A ATOM 34 C LIG 1 -2.242 -0.148 2.355 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -1.482 1.020 2.249 0.00 0.00 +0.019 A BRANCH 30 37 ATOM 36 N LIG 1 -0.479 4.222 1.244 0.00 0.00 -0.191 NA ATOM 37 C LIG 1 -1.134 3.266 1.332 0.00 0.00 +0.099 C ENDBRANCH 30 37 ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9