REMARK Name = BDB004140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.767 0.110 -1.144 0.00 0.00 +0.027 A ATOM 2 C LIG 1 0.103 1.196 -1.300 0.00 0.00 +0.023 A ATOM 3 C LIG 1 1.427 1.013 -1.716 0.00 0.00 +0.015 A ATOM 4 C LIG 1 1.910 -0.276 -1.942 0.00 0.00 +0.037 A ATOM 5 C LIG 1 1.070 -1.375 -1.785 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -0.251 -1.178 -1.370 0.00 0.00 +0.023 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.300 -0.495 -2.388 0.00 0.00 +0.247 C ATOM 8 N LIG 1 4.324 -0.152 -1.524 0.00 0.00 -0.297 N ATOM 9 C LIG 1 5.712 -0.371 -1.895 0.00 0.00 +0.124 C ATOM 10 C LIG 1 6.484 -0.449 -0.567 0.00 0.00 +0.064 C ATOM 11 C LIG 1 7.881 0.123 -0.801 0.00 0.00 +0.227 C ATOM 12 O LIG 1 8.140 1.320 -0.690 0.00 0.00 -0.275 OA ATOM 13 N LIG 1 8.828 -0.728 -1.294 0.00 0.00 -0.256 N ATOM 14 H LIG 1 9.534 -0.122 -1.709 0.00 0.00 +0.157 HD ATOM 15 C LIG 1 9.562 -1.423 -0.373 0.00 0.00 +0.219 C ATOM 16 O LIG 1 10.768 -1.207 -0.268 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 8.883 -2.515 0.421 0.00 0.00 +0.096 C ATOM 18 C LIG 1 7.544 -2.144 1.041 0.00 0.00 +0.010 C ATOM 19 C LIG 1 6.480 -1.894 -0.025 0.00 0.00 +0.018 C ATOM 20 C LIG 1 5.635 0.482 0.330 0.00 0.00 +0.036 C ATOM 21 C LIG 1 4.201 0.257 -0.135 0.00 0.00 +0.109 C ATOM 22 O LIG 1 3.487 -0.998 -3.492 0.00 0.00 -0.270 OA ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 N LIG 1 -2.074 0.215 -0.664 0.00 0.00 -0.344 N ATOM 24 H LIG 1 -2.656 -0.544 -1.013 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.783 1.488 -0.613 0.00 0.00 +0.101 C BRANCH 25 26 ATOM 26 C LIG 1 -2.554 2.212 0.714 0.00 0.00 +0.019 C BRANCH 26 27 ATOM 27 C LIG 1 -2.956 1.439 1.978 0.00 0.00 +0.002 C BRANCH 27 28 ATOM 28 C LIG 1 -4.450 1.123 2.085 0.00 0.00 +0.011 C BRANCH 28 29 ATOM 29 C LIG 1 -4.795 -0.296 1.646 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 C LIG 1 -6.275 -0.546 1.781 0.00 0.00 +0.308 C ATOM 31 O LIG 1 -6.782 -1.134 2.724 0.00 0.00 -0.251 OA BRANCH 30 32 ATOM 32 O LIG 1 -6.931 -0.009 0.718 0.00 0.00 -0.459 OA BRANCH 32 34 ATOM 33 C LIG 1 -9.058 0.647 1.774 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -8.376 -0.096 0.619 0.00 0.00 +0.105 C ATOM 35 C LIG 1 -8.841 -1.553 0.520 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -8.720 0.621 -0.696 0.00 0.00 +0.055 C ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 10