REMARK Name = BDB052823 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.603 1.069 0.306 0.00 0.00 -0.276 N ATOM 2 C LIG 1 -0.604 0.377 1.520 0.00 0.00 +0.058 A ATOM 3 C LIG 1 0.248 -0.722 1.382 0.00 0.00 +0.016 A ATOM 4 C LIG 1 0.364 -1.637 2.452 0.00 0.00 +0.011 A ATOM 5 C LIG 1 -0.318 -1.404 3.649 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.111 -0.274 3.793 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.838 -0.647 0.087 0.00 0.00 +0.106 A ATOM 8 C LIG 1 -1.262 0.633 2.741 0.00 0.00 +0.027 A ATOM 9 C LIG 1 0.353 0.498 -0.533 0.00 0.00 +0.219 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 1.732 -1.618 -0.524 0.00 0.00 +0.252 C ATOM 11 N LIG 1 2.998 -1.764 0.037 0.00 0.00 -0.295 N ATOM 12 C LIG 1 3.578 -0.878 1.053 0.00 0.00 +0.123 C ATOM 13 C LIG 1 5.101 -0.737 0.883 0.00 0.00 +0.100 C ATOM 14 N LIG 1 5.840 -2.011 0.921 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 6.686 -1.913 0.361 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 5.038 -3.139 0.416 0.00 0.00 +0.100 C ATOM 17 C LIG 1 3.900 -2.755 -0.544 0.00 0.00 +0.123 C ATOM 18 O LIG 1 1.361 -2.290 -1.485 0.00 0.00 -0.270 OA ENDBRANCH 7 10 BRANCH 1 20 ATOM 19 C LIG 1 -2.799 2.201 0.256 0.00 0.00 +0.144 A ATOM 20 C LIG 1 -1.424 2.192 -0.021 0.00 0.00 +0.091 A ATOM 21 C LIG 1 -0.852 3.307 -0.653 0.00 0.00 +0.030 A ATOM 22 C LIG 1 -1.634 4.424 -0.958 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -2.991 4.439 -0.639 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -3.573 3.329 -0.030 0.00 0.00 +0.048 A BRANCH 19 25 ATOM 25 O LIG 1 -3.449 1.126 0.799 0.00 0.00 -0.490 OA BRANCH 25 26 ATOM 26 C LIG 1 -3.882 0.222 -0.228 0.00 0.00 +0.231 C BRANCH 26 27 ATOM 27 C LIG 1 -4.346 -1.074 0.431 0.00 0.00 +0.069 C BRANCH 27 28 ATOM 28 C LIG 1 -5.578 -0.873 1.312 0.00 0.00 +0.163 C BRANCH 28 30 ATOM 29 C LIG 1 -7.392 -1.418 -0.128 0.00 0.00 +0.193 C ATOM 30 O LIG 1 -6.699 -0.392 0.569 0.00 0.00 -0.383 OA ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 19 25 ENDBRANCH 1 20 BRANCH 9 31 ATOM 31 O LIG 1 0.575 1.006 -1.754 0.00 0.00 -0.439 OA BRANCH 31 32 ATOM 32 C LIG 1 1.845 1.002 -2.275 0.00 0.00 +0.130 A ATOM 33 C LIG 1 2.065 0.327 -3.474 0.00 0.00 +0.046 A ATOM 34 C LIG 1 3.337 0.331 -4.045 0.00 0.00 +0.004 A ATOM 35 C LIG 1 4.378 1.025 -3.426 0.00 0.00 +0.000 A ATOM 36 C LIG 1 4.149 1.719 -2.237 0.00 0.00 +0.004 A ATOM 37 C LIG 1 2.880 1.710 -1.660 0.00 0.00 +0.046 A ENDBRANCH 31 32 ENDBRANCH 9 31 TORSDOF 9