REMARK Name = BDB010403 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.987 -0.669 0.094 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.795 -0.146 -0.379 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -0.227 -0.701 0.362 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.434 -1.427 1.338 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.176 -2.084 2.337 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -1.508 -1.941 2.287 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.236 -1.266 1.378 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.618 -0.633 0.364 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.785 -1.397 1.167 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.440 0.555 -0.055 0.00 0.00 +0.029 C ATOM 11 C LIG 1 4.349 -0.395 0.447 0.00 0.00 +0.091 C ATOM 12 N LIG 1 3.188 -0.366 -0.475 0.00 0.00 -0.288 N ATOM 13 C LIG 1 3.460 -1.027 -1.778 0.00 0.00 +0.204 C ATOM 14 C LIG 1 4.240 -2.350 -1.709 0.00 0.00 +0.233 C ATOM 15 O LIG 1 4.155 -3.159 -2.636 0.00 0.00 -0.274 OA ATOM 16 N LIG 1 5.116 -2.533 -0.639 0.00 0.00 -0.301 N ATOM 17 C LIG 1 5.827 -3.795 -0.552 0.00 0.00 +0.132 C ATOM 18 C LIG 1 4.874 -1.832 0.619 0.00 0.00 +0.129 C ENDBRANCH 1 12 BRANCH 6 19 ATOM 19 C LIG 1 -2.255 -2.627 3.364 0.00 0.00 +0.220 A ATOM 20 N LIG 1 -1.576 -3.314 4.298 0.00 0.00 -0.269 N ATOM 21 H LIG 1 -0.578 -3.429 4.362 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -2.481 -3.829 5.139 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -2.242 -4.517 6.118 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -3.732 -3.452 4.715 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -3.537 -2.658 3.537 0.00 0.00 -0.051 NA ENDBRANCH 6 19 BRANCH 8 26 ATOM 26 N LIG 1 -2.340 0.041 -0.609 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -1.944 -0.105 -1.530 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.809 0.029 -0.635 0.00 0.00 +0.072 C ATOM 29 C LIG 1 -4.411 0.753 0.568 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 -4.412 -1.365 -0.808 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -4.022 -2.135 -2.102 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -5.462 -2.684 -2.123 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -5.875 -1.428 -1.331 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 0.664 0.903 -1.376 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 0.289 2.276 -0.786 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.088 3.258 -1.899 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -0.609 4.582 -1.333 0.00 0.00 +0.003 C ATOM 38 C LIG 1 0.131 5.066 -0.072 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -0.727 4.897 1.186 0.00 0.00 +0.007 C ATOM 40 C LIG 1 1.491 4.382 0.081 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.415 2.852 0.094 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 7