REMARK Name = BDB008908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.222 2.045 0.748 0.00 0.00 +0.092 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.272 1.141 1.389 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -3.057 0.192 0.538 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -2.861 0.144 -0.952 0.00 0.00 +0.037 C ATOM 5 C LIG 1 -3.974 -0.614 -1.684 0.00 0.00 +0.005 C ATOM 6 C LIG 1 -4.321 -1.909 -0.961 0.00 0.00 +0.005 C ATOM 7 C LIG 1 -4.782 -1.630 0.471 0.00 0.00 +0.041 C ATOM 8 C LIG 1 -3.939 -0.600 1.172 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -4.119 -0.489 2.641 0.00 0.00 +0.268 A ATOM 10 O LIG 1 -4.925 -1.185 3.249 0.00 0.00 -0.266 OA ATOM 11 N LIG 1 -3.338 0.441 3.271 0.00 0.00 -0.243 N ATOM 12 H LIG 1 -3.445 0.534 4.275 0.00 0.00 +0.192 HD ATOM 13 N LIG 1 -2.419 1.248 2.678 0.00 0.00 -0.175 NA ENDBRANCH 1 2 BRANCH 1 17 ATOM 14 C LIG 1 2.377 -0.027 -0.494 0.00 0.00 -0.034 A ATOM 15 C LIG 1 1.877 -0.187 0.804 0.00 0.00 +0.005 A ATOM 16 C LIG 1 0.716 0.479 1.206 0.00 0.00 +0.004 A ATOM 17 C LIG 1 0.025 1.312 0.315 0.00 0.00 -0.041 A ATOM 18 C LIG 1 0.537 1.489 -0.977 0.00 0.00 +0.004 A ATOM 19 C LIG 1 1.697 0.822 -1.379 0.00 0.00 +0.005 A BRANCH 14 20 ATOM 20 C LIG 1 3.631 -0.744 -0.935 0.00 0.00 +0.116 C BRANCH 20 21 ATOM 21 N LIG 1 4.710 0.206 -1.202 0.00 0.00 -0.312 NA ATOM 22 H LIG 1 4.860 0.772 -0.367 0.00 0.00 +0.122 HD BRANCH 21 24 ATOM 23 C LIG 1 7.045 0.533 -1.825 0.00 0.00 +0.020 C ATOM 24 C LIG 1 5.944 -0.484 -1.565 0.00 0.00 +0.078 C ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 14 20 ENDBRANCH 1 17 TORSDOF 5