REMARK Name = BDB051031 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.468 -0.895 -0.139 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.245 -0.730 -0.828 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -1.064 0.371 -1.846 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -0.171 -1.630 -0.579 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.299 -2.670 0.368 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -1.509 -2.757 1.042 0.00 0.00 +0.138 A ATOM 7 O LIG 1 -1.493 -3.788 1.927 0.00 0.00 -0.463 OA ATOM 8 C LIG 1 -0.281 -4.383 1.818 0.00 0.00 +0.199 A ATOM 9 C LIG 1 0.499 -3.754 0.868 0.00 0.00 -0.004 A ATOM 10 C LIG 1 1.871 -4.154 0.469 0.00 0.00 +0.047 C ATOM 11 C LIG 1 -2.592 -1.910 0.828 0.00 0.00 +0.070 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 1.098 -1.479 -1.314 0.00 0.00 +0.245 C ATOM 13 N LIG 1 2.139 -0.988 -0.561 0.00 0.00 -0.307 N ATOM 14 H LIG 1 2.039 -0.990 0.449 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 1.162 -1.758 -2.503 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 3.478 -0.924 -1.102 0.00 0.00 +0.149 C BRANCH 16 17 ATOM 17 C LIG 1 4.297 0.064 -0.338 0.00 0.00 +0.075 A ATOM 18 C LIG 1 4.649 -0.288 1.069 0.00 0.00 +0.257 A ATOM 19 O LIG 1 4.260 -1.327 1.595 0.00 0.00 -0.267 OA ATOM 20 N LIG 1 5.419 0.617 1.759 0.00 0.00 -0.326 N ATOM 21 H LIG 1 5.634 0.363 2.716 0.00 0.00 +0.169 HD ATOM 22 C LIG 1 5.855 1.818 1.251 0.00 0.00 +0.019 A ATOM 23 C LIG 1 6.643 2.704 2.164 0.00 0.00 +0.063 C ATOM 24 C LIG 1 5.547 2.135 -0.015 0.00 0.00 +0.067 A ATOM 25 C LIG 1 4.786 1.216 -0.833 0.00 0.00 +0.132 A BRANCH 25 26 ATOM 26 O LIG 1 4.511 1.653 -2.111 0.00 0.00 -0.495 OA ATOM 27 C LIG 1 5.598 1.386 -2.999 0.00 0.00 +0.277 C ENDBRANCH 25 26 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 4 12 BRANCH 1 28 ATOM 28 N LIG 1 -3.588 -0.090 -0.369 0.00 0.00 -0.327 N BRANCH 28 29 ATOM 29 C LIG 1 -3.819 1.009 0.589 0.00 0.00 +0.078 C ATOM 30 C LIG 1 -4.879 0.608 1.626 0.00 0.00 +0.050 C ATOM 31 C LIG 1 -5.675 1.810 2.119 0.00 0.00 +0.161 C ATOM 32 O LIG 1 -4.821 2.942 2.237 0.00 0.00 -0.380 OA ATOM 33 C LIG 1 -4.364 3.428 0.975 0.00 0.00 +0.161 C ATOM 34 C LIG 1 -4.188 2.334 -0.077 0.00 0.00 +0.050 C ENDBRANCH 28 29 BRANCH 28 36 ATOM 35 C LIG 1 -5.680 -0.572 -1.574 0.00 0.00 +0.024 C ATOM 36 C LIG 1 -4.217 -0.173 -1.688 0.00 0.00 +0.102 C ENDBRANCH 28 36 ENDBRANCH 1 28 TORSDOF 7