REMARK Name = BDB056465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.457 -0.331 -0.666 0.00 0.00 +0.103 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 -1.027 -0.315 -2.571 0.00 0.00 -0.276 OA ATOM 3 C LIG 1 -0.844 -0.596 -1.392 0.00 0.00 +0.214 C ATOM 4 N LIG 1 -1.800 -1.169 -0.581 0.00 0.00 -0.308 N ATOM 5 H LIG 1 -1.655 -1.119 0.418 0.00 0.00 +0.149 HD BRANCH 4 6 ATOM 6 C LIG 1 -3.167 -1.326 -1.036 0.00 0.00 +0.104 C ATOM 7 C LIG 1 -4.018 -0.187 -0.548 0.00 0.00 -0.024 A ATOM 8 C LIG 1 -4.774 -0.565 0.568 0.00 0.00 -0.042 A ATOM 9 C LIG 1 -5.602 0.340 1.209 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.678 1.641 0.705 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -4.923 2.019 -0.417 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -4.503 -1.989 0.938 0.00 0.00 +0.037 C ATOM 13 C LIG 1 -4.081 1.103 -1.050 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -3.862 -2.521 -0.354 0.00 0.00 +0.032 C ENDBRANCH 4 6 ENDBRANCH 1 3 BRANCH 1 15 ATOM 15 C LIG 1 1.551 0.134 -1.619 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 C LIG 1 2.755 0.571 -0.827 0.00 0.00 +0.111 A ATOM 17 N LIG 1 2.811 1.900 -0.505 0.00 0.00 -0.310 N ATOM 18 H LIG 1 2.102 2.546 -0.823 0.00 0.00 +0.170 HD ATOM 19 C LIG 1 3.831 2.454 0.226 0.00 0.00 +0.259 A ATOM 20 O LIG 1 3.865 3.649 0.494 0.00 0.00 -0.267 OA ATOM 21 C LIG 1 4.878 1.517 0.666 0.00 0.00 +0.065 A ATOM 22 C LIG 1 4.734 0.176 0.301 0.00 0.00 +0.078 A ATOM 23 C LIG 1 5.714 -0.733 0.706 0.00 0.00 +0.028 A ATOM 24 C LIG 1 6.812 -0.307 1.459 0.00 0.00 +0.002 A ATOM 25 C LIG 1 6.941 1.036 1.816 0.00 0.00 +0.001 A ATOM 26 C LIG 1 5.972 1.956 1.419 0.00 0.00 +0.015 A ATOM 27 N LIG 1 3.644 -0.290 -0.454 0.00 0.00 -0.234 NA ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 4