REMARK Name = BDB002762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.288 -0.520 0.289 0.00 0.00 -0.312 N ATOM 2 H LIG 1 0.120 -0.699 -0.621 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 0.295 -1.100 1.395 0.00 0.00 +0.218 C ATOM 4 O LIG 1 -0.210 -1.054 2.515 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 -1.580 0.158 0.346 0.00 0.00 +0.070 C ATOM 6 C LIG 1 -2.692 -0.882 0.189 0.00 0.00 +0.028 C BRANCH 5 7 ATOM 7 C LIG 1 -1.641 1.244 -0.743 0.00 0.00 +0.022 C BRANCH 7 9 ATOM 8 C LIG 1 -3.871 2.317 -0.050 0.00 0.00 +0.004 C ATOM 9 C LIG 1 -2.393 2.517 -0.336 0.00 0.00 -0.002 C ENDBRANCH 7 9 ENDBRANCH 5 7 ENDBRANCH 1 5 BRANCH 3 10 ATOM 10 C LIG 1 1.581 -1.873 1.140 0.00 0.00 +0.130 C BRANCH 10 11 ATOM 11 C LIG 1 2.463 -1.323 0.042 0.00 0.00 -0.039 A ATOM 12 C LIG 1 2.654 -2.041 -1.147 0.00 0.00 +0.004 A ATOM 13 C LIG 1 3.455 -1.521 -2.164 0.00 0.00 +0.000 A ATOM 14 C LIG 1 4.074 -0.282 -2.002 0.00 0.00 +0.000 A ATOM 15 C LIG 1 3.894 0.437 -0.823 0.00 0.00 +0.000 A ATOM 16 C LIG 1 3.094 -0.080 0.196 0.00 0.00 +0.004 A ENDBRANCH 10 11 ENDBRANCH 3 10 TORSDOF 5