REMARK Name = BDB015948 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.672 2.211 0.100 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.407 1.752 0.173 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.607 2.606 -0.062 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.369 3.955 -0.329 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.965 4.324 -0.376 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.000 3.482 -0.181 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.470 -1.036 0.957 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.471 -0.067 0.780 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.757 1.234 0.320 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.104 1.544 0.069 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.114 0.594 0.251 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.797 -0.693 0.687 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 3.193 -5.968 1.403 0.00 0.00 +0.172 C ATOM 14 N LIG 1 2.988 -4.551 1.575 0.00 0.00 -0.274 N ATOM 15 N LIG 1 2.032 -4.118 2.418 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 2.108 -2.788 2.316 0.00 0.00 +0.142 A ATOM 17 C LIG 1 3.103 -2.365 1.406 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.657 -3.541 0.945 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -1.418 4.936 -0.534 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -1.395 5.935 -1.486 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -2.567 6.623 -1.345 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -3.008 7.759 -2.118 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -3.355 6.141 -0.369 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -2.652 5.121 0.130 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.923 2.109 0.009 0.00 0.00 -0.327 N ATOM 26 H LIG 1 -2.463 2.450 -0.784 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.072 0.658 0.194 0.00 0.00 +0.118 C BRANCH 27 28 ATOM 28 C LIG 1 -1.830 -0.129 -1.119 0.00 0.00 +0.103 C BRANCH 28 29 ATOM 29 N LIG 1 -1.908 -1.598 -1.057 0.00 0.00 -0.301 NA ATOM 30 C LIG 1 -0.722 -2.198 -0.427 0.00 0.00 +0.087 C ATOM 31 C LIG 1 -0.918 -3.665 -0.034 0.00 0.00 +0.046 C ATOM 32 C LIG 1 -1.965 -4.334 -0.914 0.00 0.00 +0.117 C ATOM 33 C LIG 1 -3.307 -3.602 -0.831 0.00 0.00 +0.046 C ATOM 34 C LIG 1 -3.154 -2.113 -0.501 0.00 0.00 +0.087 C BRANCH 32 35 ATOM 35 O LIG 1 -2.132 -5.700 -0.538 0.00 0.00 -0.392 OA ATOM 36 H LIG 1 -2.313 -5.725 0.417 0.00 0.00 +0.210 HD ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8