REMARK Name = BDB000607 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.190 0.152 0.531 0.00 0.00 -0.328 N ATOM 2 H LIG 1 1.447 -0.027 1.498 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 -3.045 0.074 0.072 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -2.386 -0.644 1.077 0.00 0.00 +0.006 A ATOM 5 C LIG 1 -0.991 -0.590 1.215 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.198 0.202 0.377 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -0.845 0.883 -0.654 0.00 0.00 +0.023 A ATOM 8 C LIG 1 -2.240 0.832 -0.795 0.00 0.00 +0.006 A BRANCH 3 10 ATOM 9 C LIG 1 -5.309 -0.822 0.934 0.00 0.00 +0.015 C ATOM 10 C LIG 1 -4.571 0.043 -0.113 0.00 0.00 -0.013 C ATOM 11 C LIG 1 -4.914 -0.531 -1.505 0.00 0.00 +0.015 C ATOM 12 C LIG 1 -5.138 1.475 -0.001 0.00 0.00 +0.015 C ENDBRANCH 3 10 ENDBRANCH 1 6 BRANCH 1 13 ATOM 13 C LIG 1 2.006 1.208 -0.032 0.00 0.00 +0.219 C BRANCH 13 14 ATOM 14 N LIG 1 3.369 0.936 0.323 0.00 0.00 -0.248 N ATOM 15 C LIG 1 4.133 -0.144 -0.151 0.00 0.00 +0.049 A ATOM 16 C LIG 1 5.443 -0.073 0.319 0.00 0.00 +0.048 A ATOM 17 C LIG 1 6.409 -1.010 0.006 0.00 0.00 +0.014 A ATOM 18 C LIG 1 6.023 -2.065 -0.822 0.00 0.00 +0.001 A ATOM 19 C LIG 1 4.703 -2.153 -1.305 0.00 0.00 +0.002 A ATOM 20 C LIG 1 5.544 1.130 1.143 0.00 0.00 +0.250 C ATOM 21 O LIG 1 6.521 1.532 1.730 0.00 0.00 -0.282 OA ATOM 22 C LIG 1 3.744 -1.187 -0.971 0.00 0.00 +0.024 A ATOM 23 C LIG 1 4.139 1.783 1.099 0.00 0.00 +0.292 C ATOM 24 O LIG 1 3.835 2.825 1.639 0.00 0.00 -0.266 OA ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 4