REMARK Name = BDB015084 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.108 1.393 0.054 0.00 0.00 -0.327 N ATOM 2 H LIG 1 -0.496 1.654 0.829 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 3.665 0.986 0.673 0.00 0.00 +0.073 A ATOM 4 N LIG 1 2.385 0.702 0.319 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 1.438 1.651 0.443 0.00 0.00 +0.119 A ATOM 6 C LIG 1 1.743 2.923 0.917 0.00 0.00 +0.043 A ATOM 7 C LIG 1 3.048 3.217 1.293 0.00 0.00 +0.005 A ATOM 8 C LIG 1 4.024 2.235 1.173 0.00 0.00 +0.028 A BRANCH 3 15 ATOM 9 C LIG 1 9.037 0.001 -0.746 0.00 0.00 +0.150 C ATOM 10 N LIG 1 8.157 -1.081 -0.388 0.00 0.00 -0.333 N ATOM 11 C LIG 1 6.837 -0.966 -0.026 0.00 0.00 +0.069 A ATOM 12 C LIG 1 6.438 -2.279 0.205 0.00 0.00 +0.089 A ATOM 13 C LIG 1 5.116 -2.535 0.585 0.00 0.00 +0.030 A ATOM 14 C LIG 1 4.234 -1.452 0.725 0.00 0.00 +0.012 A ATOM 15 C LIG 1 4.635 -0.119 0.504 0.00 0.00 +0.002 A ATOM 16 N LIG 1 7.477 -3.154 0.004 0.00 0.00 -0.236 NA ATOM 17 C LIG 1 5.969 0.128 0.112 0.00 0.00 +0.038 A ATOM 18 C LIG 1 8.495 -2.404 -0.353 0.00 0.00 +0.200 A ENDBRANCH 3 15 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -0.123 0.017 -0.401 0.00 0.00 +0.135 C BRANCH 19 20 ATOM 20 C LIG 1 -1.556 -0.154 -0.952 0.00 0.00 +0.145 C BRANCH 20 21 ATOM 21 O LIG 1 -1.611 -1.355 -1.737 0.00 0.00 -0.389 OA ATOM 22 H LIG 1 -1.134 -1.176 -2.566 0.00 0.00 +0.210 HD ENDBRANCH 20 21 BRANCH 20 23 ATOM 23 C LIG 1 -2.589 -0.256 0.197 0.00 0.00 +0.117 C BRANCH 23 24 ATOM 24 N LIG 1 -4.000 -0.255 -0.253 0.00 0.00 -0.295 NA ATOM 25 C LIG 1 -4.872 -0.762 0.826 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -6.353 -0.643 0.534 0.00 0.00 -0.030 A ATOM 27 C LIG 1 -6.827 0.239 -0.452 0.00 0.00 -0.042 A ATOM 28 C LIG 1 -8.205 0.352 -0.683 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -9.109 -0.387 0.079 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -8.645 -1.248 1.070 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.849 1.008 -1.300 0.00 0.00 +0.051 C ATOM 32 C LIG 1 -7.274 -1.374 1.299 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.452 1.081 -0.667 0.00 0.00 +0.089 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7