REMARK Name = BDB010301 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.907 -1.435 -0.288 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.549 -1.139 -0.376 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.286 -1.927 -1.151 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.575 -1.500 -1.089 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.588 -0.491 -0.252 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.125 -2.974 -1.881 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.440 -3.170 -1.781 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.288 -0.142 0.086 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.341 -2.468 -1.039 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.668 0.231 0.149 0.00 0.00 -0.289 N ATOM 11 C LIG 1 3.890 0.244 -0.701 0.00 0.00 +0.132 C ATOM 12 C LIG 1 4.670 1.557 -0.379 0.00 0.00 +0.187 C ATOM 13 O LIG 1 4.935 1.748 1.028 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 3.729 1.681 1.803 0.00 0.00 +0.179 C ATOM 15 C LIG 1 2.968 0.363 1.583 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 4.753 -1.019 -0.600 0.00 0.00 -0.025 A ATOM 17 C LIG 1 4.535 -2.073 -1.506 0.00 0.00 +0.005 A ATOM 18 C LIG 1 5.301 -3.240 -1.465 0.00 0.00 +0.000 A ATOM 19 C LIG 1 6.311 -3.378 -0.520 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.552 -2.348 0.384 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.781 -1.181 0.344 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -2.794 -0.722 0.500 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.367 -0.304 1.317 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -5.054 -0.047 0.998 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -4.137 -1.248 0.751 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -4.149 -2.154 1.985 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -5.483 -2.886 2.313 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -4.626 -4.064 2.818 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -3.526 -3.574 1.855 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 -2.047 -4.301 -2.568 0.00 0.00 +0.375 C ATOM 31 O LIG 1 -1.457 -5.085 -3.290 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 -3.397 -4.346 -2.368 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 -3.653 -3.615 -1.758 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 -0.138 1.140 0.624 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -0.853 2.049 -0.398 0.00 0.00 +0.009 C ATOM 36 C LIG 1 0.091 2.434 -1.556 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -0.331 3.743 -2.211 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -0.228 4.919 -1.224 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -1.143 6.061 -1.670 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -0.520 4.497 0.228 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.449 3.289 0.300 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 9