REMARK Name = BDB057261 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.480 0.131 0.048 0.00 0.00 +0.014 A ATOM 2 C LIG 1 1.718 0.702 1.070 0.00 0.00 +0.012 A ATOM 3 C LIG 1 0.321 0.646 1.014 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -0.338 0.017 -0.056 0.00 0.00 -0.018 A ATOM 5 C LIG 1 0.448 -0.556 -1.071 0.00 0.00 +0.009 A ATOM 6 C LIG 1 1.845 -0.501 -1.023 0.00 0.00 +0.012 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.808 -0.040 -0.111 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -2.582 1.129 -0.013 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -3.977 1.075 -0.066 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -4.623 -0.149 -0.217 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -3.875 -1.319 -0.316 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -2.480 -1.264 -0.264 0.00 0.00 +0.008 A ENDBRANCH 4 7 BRANCH 1 15 ATOM 13 N LIG 1 4.713 0.303 -0.930 0.00 0.00 -0.285 NA ATOM 14 H LIG 1 4.148 0.405 -1.778 0.00 0.00 +0.188 HD ATOM 15 C LIG 1 3.964 0.188 0.120 0.00 0.00 +0.116 C BRANCH 15 16 ATOM 16 N LIG 1 4.596 0.108 1.324 0.00 0.00 -0.343 N ATOM 17 H LIG 1 4.179 -0.523 1.998 0.00 0.00 +0.144 HD ATOM 18 H LIG 1 5.589 -0.061 1.198 0.00 0.00 +0.144 HD ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 3