REMARK Name = BDB001052 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.400 0.271 -0.698 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.532 0.707 -0.001 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -2.359 1.698 -0.549 0.00 0.00 -0.041 A ATOM 4 C LIG 1 -2.014 2.254 -1.792 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.893 1.802 -2.494 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.089 0.801 -1.954 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 -0.124 -1.870 0.145 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.430 -0.805 -0.118 0.00 0.00 +0.247 C ATOM 9 N LIG 1 1.793 -0.572 0.070 0.00 0.00 -0.295 N ATOM 10 C LIG 1 2.335 0.768 0.337 0.00 0.00 +0.127 C ATOM 11 C LIG 1 3.834 0.876 0.008 0.00 0.00 +0.127 C ATOM 12 N LIG 1 4.591 -0.216 0.637 0.00 0.00 -0.297 N ATOM 13 C LIG 1 4.071 -1.566 0.361 0.00 0.00 +0.127 C ATOM 14 C LIG 1 2.569 -1.656 0.679 0.00 0.00 +0.127 C BRANCH 12 15 ATOM 15 C LIG 1 5.975 -0.106 0.472 0.00 0.00 +0.218 A ATOM 16 N LIG 1 6.735 -1.210 0.585 0.00 0.00 -0.223 NA ATOM 17 C LIG 1 8.069 -1.077 0.457 0.00 0.00 +0.116 A ATOM 18 C LIG 1 8.690 0.120 0.216 0.00 0.00 +0.039 A ATOM 19 C LIG 1 7.847 1.194 0.113 0.00 0.00 +0.116 A ATOM 20 N LIG 1 6.509 1.106 0.234 0.00 0.00 -0.223 NA ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 -3.572 2.214 0.193 0.00 0.00 +0.093 C BRANCH 21 22 ATOM 22 C LIG 1 -4.373 1.139 0.916 0.00 0.00 +0.074 A ATOM 23 C LIG 1 -5.224 0.197 0.144 0.00 0.00 +0.011 A ATOM 24 C LIG 1 -5.929 -0.761 0.870 0.00 0.00 +0.050 A ATOM 25 C LIG 1 -6.754 -1.687 0.218 0.00 0.00 +0.014 A ATOM 26 C LIG 1 -6.872 -1.651 -1.171 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -6.169 -0.695 -1.902 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -5.802 -0.791 2.336 0.00 0.00 +0.272 A ATOM 29 O LIG 1 -6.412 -1.609 3.015 0.00 0.00 -0.266 OA ATOM 30 N LIG 1 -4.970 0.151 2.889 0.00 0.00 -0.242 N ATOM 31 H LIG 1 -4.864 0.141 3.899 0.00 0.00 +0.192 HD ATOM 32 C LIG 1 -5.347 0.230 -1.250 0.00 0.00 +0.010 A ATOM 33 N LIG 1 -4.269 1.099 2.213 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 4