REMARK Name = BDB002610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.144 -0.781 0.053 0.00 0.00 +0.147 C ATOM 2 C LIG 1 -1.458 -0.038 0.040 0.00 0.00 -0.009 A ATOM 3 C LIG 1 -2.508 -0.954 0.093 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -3.831 -0.569 0.102 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -4.097 0.801 0.058 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -3.048 1.738 0.006 0.00 0.00 +0.000 A ATOM 7 N LIG 1 -2.004 -2.243 0.125 0.00 0.00 -0.284 N ATOM 8 H LIG 1 -2.551 -3.090 0.154 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -1.713 1.321 -0.002 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -0.614 -2.244 0.090 0.00 0.00 +0.230 C ATOM 11 O LIG 1 0.087 -3.242 0.084 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 13 ATOM 12 N LIG 1 1.892 -0.073 -1.254 0.00 0.00 -0.292 NA ATOM 13 C LIG 1 0.675 -0.495 -1.177 0.00 0.00 +0.095 C BRANCH 12 15 ATOM 14 C LIG 1 4.164 -0.063 -0.456 0.00 0.00 +0.032 C ATOM 15 C LIG 1 2.703 0.132 -0.056 0.00 0.00 +0.099 C ATOM 16 C LIG 1 2.486 1.544 0.476 0.00 0.00 +0.032 C ENDBRANCH 12 15 ENDBRANCH 1 13 TORSDOF 2