REMARK Name = BDB016340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.077 -2.616 0.164 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -2.167 -1.088 0.100 0.00 0.00 +0.076 C ATOM 3 N LIG 1 -0.824 -0.565 -0.098 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -0.122 -1.123 0.386 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -0.568 0.811 0.085 0.00 0.00 +0.057 A ATOM 6 C LIG 1 -1.536 1.840 -0.025 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -1.155 3.178 0.208 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.161 3.530 0.483 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.133 2.544 0.517 0.00 0.00 +0.010 A ATOM 10 N LIG 1 -2.902 1.701 -0.348 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -3.468 2.540 -0.300 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -3.646 0.659 -0.795 0.00 0.00 +0.219 C ATOM 13 O LIG 1 -4.845 0.852 -1.016 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 0.798 1.193 0.309 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.027 -0.671 -1.072 0.00 0.00 +0.118 C ENDROOT BRANCH 14 16 ATOM 16 C LIG 1 1.901 0.210 0.334 0.00 0.00 -0.015 A ATOM 17 C LIG 1 2.316 -0.431 -0.845 0.00 0.00 +0.027 A ATOM 18 C LIG 1 3.360 -1.363 -0.825 0.00 0.00 +0.052 A ATOM 19 C LIG 1 4.001 -1.662 0.380 0.00 0.00 +0.019 A ATOM 20 C LIG 1 3.601 -1.032 1.559 0.00 0.00 +0.002 A ATOM 21 C LIG 1 2.559 -0.103 1.534 0.00 0.00 +0.008 A BRANCH 18 22 ATOM 22 C LIG 1 3.769 -2.010 -2.037 0.00 0.00 +0.099 C ATOM 23 N LIG 1 4.106 -2.539 -3.014 0.00 0.00 -0.191 NA ENDBRANCH 18 22 ENDBRANCH 14 16 TORSDOF 2