REMARK Name = BDB019335 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.176 -0.312 -0.701 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.153 0.679 -0.271 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -2.362 0.286 0.259 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -2.635 -0.915 0.366 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -0.735 2.025 -0.641 0.00 0.00 +0.140 C ATOM 6 C LIG 1 0.708 1.868 -1.124 0.00 0.00 +0.134 C ATOM 7 C LIG 1 0.732 0.441 -1.670 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 1.258 -2.042 0.273 0.00 0.00 -0.310 N ATOM 9 H LIG 1 1.136 -2.507 -0.615 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.648 -0.825 0.498 0.00 0.00 +0.234 C ATOM 11 O LIG 1 0.816 -0.170 1.525 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 2.180 -2.622 1.221 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 6.243 -1.778 -0.003 0.00 0.00 -0.009 A ATOM 14 C LIG 1 5.519 -0.848 0.752 0.00 0.00 +0.009 A ATOM 15 C LIG 1 4.210 -1.126 1.152 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.602 -2.342 0.807 0.00 0.00 -0.030 A ATOM 17 C LIG 1 4.323 -3.267 0.041 0.00 0.00 +0.006 A ATOM 18 C LIG 1 5.633 -2.989 -0.357 0.00 0.00 +0.009 A BRANCH 13 20 ATOM 19 C LIG 1 8.111 -0.525 -1.299 0.00 0.00 +0.078 A ATOM 20 C LIG 1 7.609 -1.478 -0.425 0.00 0.00 +0.046 A ATOM 21 S LIG 1 8.919 -2.386 0.229 0.00 0.00 -0.075 S ATOM 22 C LIG 1 10.015 -1.442 -0.686 0.00 0.00 +0.157 A ATOM 23 N LIG 1 9.488 -0.508 -1.444 0.00 0.00 -0.247 NA BRANCH 19 25 ATOM 24 C LIG 1 7.820 1.358 -2.856 0.00 0.00 +0.010 C ATOM 25 C LIG 1 7.327 0.406 -2.051 0.00 0.00 +0.021 C ENDBRANCH 19 25 ENDBRANCH 13 20 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 26 ATOM 26 O LIG 1 1.036 2.804 -2.136 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 1.958 2.643 -2.400 0.00 0.00 +0.210 HD ENDBRANCH 6 26 BRANCH 3 28 ATOM 28 C LIG 1 -3.317 1.391 0.783 0.00 0.00 +0.165 C BRANCH 28 29 ATOM 29 N LIG 1 -4.719 0.993 0.606 0.00 0.00 -0.281 N ATOM 30 C LIG 1 -5.369 1.204 -0.605 0.00 0.00 +0.248 C ATOM 31 O LIG 1 -4.997 1.875 -1.550 0.00 0.00 -0.270 OA ATOM 32 C LIG 1 -6.615 0.434 -0.566 0.00 0.00 +0.042 A ATOM 33 C LIG 1 -6.643 -0.281 0.628 0.00 0.00 -0.018 A ATOM 34 C LIG 1 -7.714 -1.107 0.921 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -8.754 -1.196 -0.012 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.710 -0.468 -1.216 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -7.626 0.361 -1.506 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -5.407 -0.003 1.419 0.00 0.00 +0.144 C ENDBRANCH 28 29 BRANCH 28 39 ATOM 39 C LIG 1 -2.913 1.866 2.204 0.00 0.00 +0.012 C ATOM 40 C LIG 1 -3.816 3.001 2.695 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -2.811 0.766 3.264 0.00 0.00 +0.009 C ENDBRANCH 28 39 ENDBRANCH 3 28 TORSDOF 9