REMARK Name = BDB016300 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.282 -1.297 0.593 0.00 0.00 +0.008 A ATOM 2 C LIG 1 -1.442 -0.709 -0.012 0.00 0.00 +0.057 A ATOM 3 N LIG 1 -1.295 0.554 -0.598 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -0.503 1.062 -0.206 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -2.398 1.441 -0.921 0.00 0.00 +0.076 C ATOM 6 C LIG 1 -3.277 0.836 -1.987 0.00 0.00 +0.118 C ATOM 7 C LIG 1 -4.247 -0.164 -1.456 0.00 0.00 +0.219 C ATOM 8 N LIG 1 -3.854 -1.163 -0.632 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -4.626 -1.794 -0.455 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -5.430 -0.134 -1.810 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 -3.113 1.957 0.325 0.00 0.00 +0.028 C ATOM 12 C LIG 1 -2.621 -1.490 -0.033 0.00 0.00 +0.055 A ATOM 13 C LIG 1 -2.642 -2.743 0.620 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.516 -3.268 1.246 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -0.334 -2.550 1.223 0.00 0.00 +0.010 A ENDROOT BRANCH 1 19 ATOM 16 N LIG 1 2.909 0.243 -0.055 0.00 0.00 -0.268 N ATOM 17 N LIG 1 2.910 0.442 1.280 0.00 0.00 -0.179 NA ATOM 18 C LIG 1 1.756 -0.098 1.683 0.00 0.00 +0.143 A ATOM 19 C LIG 1 1.005 -0.621 0.611 0.00 0.00 +0.021 A ATOM 20 C LIG 1 1.785 -0.393 -0.502 0.00 0.00 +0.117 A BRANCH 16 22 ATOM 21 C LIG 1 5.328 -0.011 -0.476 0.00 0.00 +0.032 C ATOM 22 C LIG 1 4.031 0.693 -0.871 0.00 0.00 +0.101 C ATOM 23 C LIG 1 4.184 2.213 -0.821 0.00 0.00 +0.032 C ENDBRANCH 16 22 ENDBRANCH 1 19 TORSDOF 2