REMARK Name = BDB016104 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.015 2.264 -0.475 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.193 1.196 -0.452 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.131 1.406 -0.320 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -1.649 2.695 -0.207 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -0.726 3.722 -0.245 0.00 0.00 +0.125 A ATOM 6 N LIG 1 0.601 3.539 -0.380 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.354 0.433 -0.754 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.980 0.696 -0.629 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.464 2.010 -0.609 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.389 3.064 -0.722 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.758 2.821 -0.852 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.237 1.511 -0.869 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 4.891 -4.431 0.092 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.078 -3.081 -0.379 0.00 0.00 -0.274 N ATOM 15 N LIG 1 6.135 -2.793 -1.159 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.000 -1.485 -1.394 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.858 -0.929 -0.771 0.00 0.00 +0.020 A ATOM 18 C LIG 1 4.285 -2.001 -0.117 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -3.057 2.988 -0.067 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -3.633 3.535 1.059 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.966 3.644 0.783 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.998 4.145 1.658 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -5.292 3.224 -0.454 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -4.127 2.828 -0.972 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.993 0.286 -0.235 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -2.736 0.433 -0.921 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.362 -1.042 -0.413 0.00 0.00 +0.103 C ATOM 28 C LIG 1 -2.484 -2.057 -0.768 0.00 0.00 +0.163 C ATOM 29 C LIG 1 -2.099 -3.483 -0.368 0.00 0.00 +0.145 C ATOM 30 C LIG 1 -1.885 -3.621 1.142 0.00 0.00 +0.034 C ATOM 31 C LIG 1 -1.384 -2.339 1.806 0.00 0.00 +0.004 C ATOM 32 C LIG 1 -0.577 -1.466 0.851 0.00 0.00 +0.025 C BRANCH 28 33 ATOM 33 O LIG 1 -3.726 -1.725 -0.107 0.00 0.00 -0.387 OA ATOM 34 H LIG 1 -3.553 -0.906 0.401 0.00 0.00 +0.210 HD ENDBRANCH 28 33 BRANCH 29 35 ATOM 35 O LIG 1 -3.129 -4.389 -0.767 0.00 0.00 -0.389 OA ATOM 36 H LIG 1 -3.968 -3.955 -0.512 0.00 0.00 +0.210 HD ENDBRANCH 29 35 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7