REMARK Name = BDB016014 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.348 -0.394 0.085 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.078 -0.306 0.529 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.715 -1.391 0.427 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.240 -2.596 -0.096 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.078 -2.580 -0.513 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.887 -1.506 -0.441 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.385 1.917 -0.079 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.565 0.778 -0.158 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.195 0.813 0.178 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.670 2.048 0.600 0.00 0.00 +0.011 A ATOM 11 C LIG 1 2.468 3.191 0.680 0.00 0.00 +0.001 A ATOM 12 C LIG 1 3.818 3.124 0.342 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 9.025 0.295 -0.797 0.00 0.00 +0.172 C ATOM 14 N LIG 1 7.842 1.119 -0.736 0.00 0.00 -0.274 N ATOM 15 N LIG 1 7.912 2.407 -1.115 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.667 2.853 -0.928 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.794 1.856 -0.432 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.599 0.741 -0.317 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -1.036 -3.805 -0.192 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -1.030 -4.675 -1.264 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -1.919 -5.665 -0.957 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -2.264 -6.808 -1.768 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -2.510 -5.500 0.239 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -1.964 -4.375 0.709 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.042 -1.296 0.892 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.675 -1.677 0.192 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.471 0.003 1.411 0.00 0.00 +0.073 C ATOM 28 C LIG 1 -2.740 1.012 0.281 0.00 0.00 +0.042 C ATOM 29 C LIG 1 -4.116 1.595 0.582 0.00 0.00 +0.078 C ATOM 30 C LIG 1 -4.856 0.420 1.204 0.00 0.00 +0.022 C ATOM 31 C LIG 1 -3.815 -0.172 2.140 0.00 0.00 +0.024 C BRANCH 29 32 ATOM 32 N LIG 1 -4.805 2.039 -0.633 0.00 0.00 -0.192 NA ATOM 33 H LIG 1 -4.888 1.373 -1.403 0.00 0.00 +0.148 HD BRANCH 32 34 ATOM 34 S LIG 1 -4.547 3.601 -1.191 0.00 0.00 +0.027 S ATOM 35 O LIG 1 -3.241 4.036 -0.751 0.00 0.00 -0.158 OA ATOM 36 O LIG 1 -4.917 3.582 -2.588 0.00 0.00 -0.158 OA ATOM 37 C LIG 1 -5.793 4.505 -0.298 0.00 0.00 +0.214 C ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7