REMARK Name = BDB013696 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.430 -0.154 -0.301 0.00 0.00 -0.326 N ATOM 2 H LIG 1 0.265 -0.062 -1.295 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.739 -0.056 0.116 0.00 0.00 +0.143 A ATOM 4 C LIG 1 2.822 -0.259 -0.861 0.00 0.00 +0.002 A ATOM 5 C LIG 1 2.715 -0.580 -2.304 0.00 0.00 +0.039 C ATOM 6 C LIG 1 4.157 -0.368 -2.789 0.00 0.00 +0.010 C ATOM 7 C LIG 1 5.056 -0.434 -1.547 0.00 0.00 +0.041 C ATOM 8 C LIG 1 4.086 -0.183 -0.454 0.00 0.00 +0.025 A ATOM 9 C LIG 1 4.428 0.107 0.939 0.00 0.00 +0.271 A ATOM 10 O LIG 1 5.606 0.159 1.282 0.00 0.00 -0.266 OA ATOM 11 N LIG 1 3.332 0.305 1.772 0.00 0.00 -0.231 N ATOM 12 C LIG 1 3.529 0.580 3.182 0.00 0.00 +0.176 C ATOM 13 N LIG 1 2.012 0.210 1.366 0.00 0.00 -0.153 NA ENDBRANCH 1 3 BRANCH 1 14 ATOM 14 C LIG 1 -0.685 0.285 0.544 0.00 0.00 +0.126 C BRANCH 14 15 ATOM 15 C LIG 1 -2.074 -0.142 -0.046 0.00 0.00 +0.103 C BRANCH 15 16 ATOM 16 C LIG 1 -3.119 0.839 0.496 0.00 0.00 -0.029 A ATOM 17 C LIG 1 -3.542 0.776 1.834 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -4.479 1.686 2.325 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -5.002 2.670 1.489 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -4.590 2.744 0.159 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -3.653 1.835 -0.336 0.00 0.00 +0.005 A ENDBRANCH 15 16 BRANCH 15 23 ATOM 22 C LIG 1 -1.421 -2.526 -0.037 0.00 0.00 +0.105 C ATOM 23 N LIG 1 -2.487 -1.555 0.206 0.00 0.00 -0.300 NA ATOM 24 C LIG 1 -3.665 -1.915 -0.592 0.00 0.00 +0.105 C ENDBRANCH 15 23 ENDBRANCH 14 15 ENDBRANCH 1 14 TORSDOF 5