REMARK Name = BDB003371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.767 -0.381 0.831 0.00 0.00 +0.025 A ATOM 2 C LIG 1 2.473 -0.123 -0.507 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.148 0.018 -0.931 0.00 0.00 +0.025 A ATOM 4 C LIG 1 0.089 -0.054 -0.019 0.00 0.00 +0.030 A ATOM 5 C LIG 1 0.392 -0.249 1.332 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.719 -0.392 1.753 0.00 0.00 +0.024 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 4.095 -0.404 1.271 0.00 0.00 -0.358 N ATOM 8 H LIG 1 4.228 -0.896 2.149 0.00 0.00 +0.142 HD ATOM 9 H LIG 1 4.757 -0.700 0.561 0.00 0.00 +0.142 HD ENDBRANCH 1 7 BRANCH 4 10 ATOM 10 N LIG 1 -1.225 0.090 -0.508 0.00 0.00 -0.326 N BRANCH 10 11 ATOM 11 C LIG 1 -1.823 1.382 -0.091 0.00 0.00 +0.133 C BRANCH 11 12 ATOM 12 C LIG 1 -1.185 2.589 -0.793 0.00 0.00 +0.174 C BRANCH 12 13 ATOM 13 O LIG 1 -1.836 3.797 -0.401 0.00 0.00 -0.393 OA ATOM 14 H LIG 1 -1.541 3.998 0.504 0.00 0.00 +0.209 HD ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 10 11 BRANCH 10 15 ATOM 15 C LIG 1 -2.107 -1.076 -0.231 0.00 0.00 +0.133 C BRANCH 15 16 ATOM 16 C LIG 1 -1.727 -2.316 -1.058 0.00 0.00 +0.174 C BRANCH 16 17 ATOM 17 O LIG 1 -0.697 -3.084 -0.441 0.00 0.00 -0.393 OA ATOM 18 H LIG 1 0.089 -2.509 -0.402 0.00 0.00 +0.209 HD ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 4 10 TORSDOF 8