REMARK Name = BDB023659 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.781 -0.151 0.452 0.00 0.00 -0.268 N ATOM 2 C LIG 1 -2.445 -0.758 0.174 0.00 0.00 +0.132 C ATOM 3 C LIG 1 -1.447 0.406 0.175 0.00 0.00 +0.067 C ATOM 4 C LIG 1 -1.007 0.701 -1.249 0.00 0.00 +0.221 C ATOM 5 O LIG 1 -1.605 1.357 -2.082 0.00 0.00 -0.275 OA ATOM 6 N LIG 1 0.192 0.056 -1.465 0.00 0.00 -0.308 N ATOM 7 H LIG 1 0.654 0.070 -2.366 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 0.674 -0.624 -0.296 0.00 0.00 +0.104 C ATOM 9 C LIG 1 -0.102 0.059 0.832 0.00 0.00 +0.045 C ATOM 10 C LIG 1 -2.188 1.556 0.834 0.00 0.00 +0.037 C ATOM 11 C LIG 1 -3.634 1.326 0.424 0.00 0.00 +0.117 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 2.170 -0.550 -0.141 0.00 0.00 -0.027 A ATOM 13 C LIG 1 2.873 0.651 -0.336 0.00 0.00 +0.005 A ATOM 14 C LIG 1 4.259 0.701 -0.173 0.00 0.00 +0.000 A ATOM 15 C LIG 1 4.960 -0.446 0.191 0.00 0.00 +0.000 A ATOM 16 C LIG 1 4.277 -1.643 0.393 0.00 0.00 +0.000 A ATOM 17 C LIG 1 2.891 -1.695 0.230 0.00 0.00 +0.005 A ENDBRANCH 8 12 BRANCH 1 19 ATOM 18 N LIG 1 -5.939 -1.339 0.040 0.00 0.00 -0.174 NA ATOM 19 C LIG 1 -4.941 -0.783 0.230 0.00 0.00 +0.169 C ENDBRANCH 1 19 TORSDOF 2