REMARK Name = BDB019434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.042 0.083 0.329 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -1.095 -0.830 -0.088 0.00 0.00 -0.286 N ATOM 3 C LIG 1 0.238 -0.826 0.502 0.00 0.00 +0.164 C ATOM 4 C LIG 1 0.756 -2.241 0.267 0.00 0.00 +0.065 C ATOM 5 C LIG 1 0.111 -2.632 -1.062 0.00 0.00 +0.134 C ATOM 6 C LIG 1 -1.258 -1.946 -1.008 0.00 0.00 +0.140 C ATOM 7 O LIG 1 -1.784 0.858 1.254 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.152 0.188 -0.216 0.00 0.00 +0.234 C ATOM 9 N LIG 1 2.142 0.712 0.584 0.00 0.00 -0.310 N ATOM 10 H LIG 1 2.189 0.458 1.561 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 1.059 0.428 -1.419 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 3.178 1.571 0.060 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 4.442 0.785 -0.166 0.00 0.00 -0.030 A ATOM 14 C LIG 1 4.618 0.056 -1.348 0.00 0.00 +0.005 A ATOM 15 C LIG 1 5.777 -0.699 -1.552 0.00 0.00 +0.004 A ATOM 16 C LIG 1 6.797 -0.750 -0.589 0.00 0.00 -0.044 A ATOM 17 C LIG 1 6.598 -0.028 0.599 0.00 0.00 +0.004 A ATOM 18 C LIG 1 5.441 0.728 0.812 0.00 0.00 +0.005 A BRANCH 16 19 ATOM 19 C LIG 1 8.040 -1.577 -0.807 0.00 0.00 +0.019 C ATOM 20 C LIG 1 9.406 -0.940 -0.689 0.00 0.00 +0.009 C ATOM 21 C LIG 1 8.893 -1.352 -2.035 0.00 0.00 +0.009 C ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 5 22 ATOM 22 O LIG 1 -0.015 -4.042 -1.161 0.00 0.00 -0.390 OA ATOM 23 H LIG 1 0.885 -4.409 -1.220 0.00 0.00 +0.210 HD ENDBRANCH 5 22 BRANCH 1 24 ATOM 24 C LIG 1 -3.416 0.092 -0.395 0.00 0.00 +0.165 C BRANCH 24 25 ATOM 25 N LIG 1 -4.474 0.521 0.533 0.00 0.00 -0.281 N ATOM 26 C LIG 1 -4.793 1.826 0.885 0.00 0.00 +0.248 C ATOM 27 O LIG 1 -4.444 2.878 0.389 0.00 0.00 -0.270 OA ATOM 28 C LIG 1 -5.706 1.750 2.031 0.00 0.00 +0.042 A ATOM 29 C LIG 1 -5.852 0.413 2.386 0.00 0.00 -0.018 A ATOM 30 C LIG 1 -6.666 0.055 3.446 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -7.332 1.073 4.139 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.174 2.422 3.771 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.349 2.774 2.702 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -5.018 -0.434 1.491 0.00 0.00 +0.144 C ENDBRANCH 24 25 BRANCH 24 36 ATOM 35 C LIG 1 -4.772 0.949 -2.401 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -3.377 0.753 -1.800 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -2.545 2.033 -1.919 0.00 0.00 +0.009 C ENDBRANCH 24 36 ENDBRANCH 1 24 TORSDOF 8