REMARK Name = BDB058008 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.183 0.886 1.694 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.411 1.515 1.487 0.00 0.00 +0.013 A ATOM 3 C LIG 1 2.596 0.790 1.640 0.00 0.00 +0.009 A ATOM 4 C LIG 1 2.566 -0.564 2.004 0.00 0.00 -0.021 A ATOM 5 C LIG 1 1.324 -1.170 2.252 0.00 0.00 +0.009 A ATOM 6 C LIG 1 0.136 -0.450 2.102 0.00 0.00 +0.013 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 -5.131 -0.535 -1.436 0.00 0.00 +0.184 A ATOM 8 N LIG 1 -4.250 0.229 -0.724 0.00 0.00 -0.307 N ATOM 9 C LIG 1 -4.499 1.256 0.255 0.00 0.00 +0.144 C ATOM 10 C LIG 1 -3.242 2.072 0.544 0.00 0.00 +0.130 C ATOM 11 N LIG 1 -2.061 1.220 0.686 0.00 0.00 -0.288 N ATOM 12 C LIG 1 -1.750 0.372 -0.475 0.00 0.00 +0.184 C ATOM 13 C LIG 1 -1.058 1.677 1.548 0.00 0.00 +0.247 C ATOM 14 O LIG 1 -1.160 2.707 2.211 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 -2.991 -0.190 -1.070 0.00 0.00 +0.151 A ATOM 16 N LIG 1 -3.091 -1.119 -1.992 0.00 0.00 -0.132 NA ATOM 17 N LIG 1 -4.432 -1.330 -2.225 0.00 0.00 -0.127 NA BRANCH 7 21 ATOM 18 C LIG 1 -10.001 0.341 -0.291 0.00 0.00 +0.150 C ATOM 19 N LIG 1 -8.783 -0.162 -0.874 0.00 0.00 -0.339 N ATOM 20 C LIG 1 -7.506 0.212 -0.551 0.00 0.00 +0.118 A ATOM 21 C LIG 1 -6.695 -0.540 -1.374 0.00 0.00 +0.126 A ATOM 22 N LIG 1 -7.463 -1.358 -2.173 0.00 0.00 -0.233 NA ATOM 23 C LIG 1 -8.710 -1.108 -1.851 0.00 0.00 +0.199 A ENDBRANCH 7 21 ENDBRANCH 1 13 BRANCH 4 24 ATOM 24 C LIG 1 3.786 -1.358 2.203 0.00 0.00 +0.058 C ATOM 25 C LIG 1 4.905 -1.270 1.471 0.00 0.00 +0.176 C ATOM 26 C LIG 1 6.103 -2.113 1.712 0.00 0.00 +0.231 C ATOM 27 O LIG 1 6.285 -2.968 2.550 0.00 0.00 -0.283 OA ATOM 28 C LIG 1 7.031 -1.667 0.680 0.00 0.00 +0.068 A ATOM 29 C LIG 1 6.393 -0.668 -0.052 0.00 0.00 +0.152 A ATOM 30 C LIG 1 7.040 -0.048 -1.105 0.00 0.00 +0.079 A ATOM 31 C LIG 1 8.353 -0.460 -1.400 0.00 0.00 +0.017 A ATOM 32 C LIG 1 8.981 -1.477 -0.651 0.00 0.00 +0.002 A ATOM 33 C LIG 1 8.316 -2.095 0.408 0.00 0.00 +0.015 A ATOM 34 O LIG 1 5.114 -0.422 0.392 0.00 0.00 -0.451 OA BRANCH 30 35 ATOM 35 C LIG 1 6.375 1.039 -1.861 0.00 0.00 +0.245 C ATOM 36 O LIG 1 5.529 1.763 -1.354 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 6.739 1.199 -3.170 0.00 0.00 -0.325 N ATOM 38 H LIG 1 7.230 0.486 -3.691 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 6.198 1.872 -3.700 0.00 0.00 +0.145 HD ENDBRANCH 30 35 ENDBRANCH 4 24 TORSDOF 4