REMARK Name = BDB003984 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.880 -0.208 3.178 0.00 0.00 +0.154 C ATOM 2 N LIG 1 -4.210 -0.152 1.784 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -3.389 -0.587 0.738 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -4.071 -0.375 -0.462 0.00 0.00 +0.071 A ATOM 5 C LIG 1 -3.517 -0.729 -1.673 0.00 0.00 +0.028 A ATOM 6 C LIG 1 -2.239 -1.301 -1.655 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -1.538 -1.513 -0.443 0.00 0.00 -0.045 A ATOM 8 N LIG 1 -5.312 0.209 -0.156 0.00 0.00 -0.280 N ATOM 9 C LIG 1 -2.129 -1.149 0.778 0.00 0.00 +0.031 A ATOM 10 C LIG 1 -5.419 0.328 1.249 0.00 0.00 +0.331 A ATOM 11 O LIG 1 -6.382 0.753 1.867 0.00 0.00 -0.246 OA ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -6.376 0.494 -1.101 0.00 0.00 +0.178 C ATOM 13 C LIG 1 -6.914 1.913 -0.864 0.00 0.00 +0.242 C ATOM 14 O LIG 1 -6.161 2.883 -0.736 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -8.263 2.137 -0.886 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -8.327 3.143 -0.751 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -9.056 1.611 0.098 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -9.550 2.346 0.951 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -9.465 0.165 -0.045 0.00 0.00 +0.096 C ATOM 20 C LIG 1 -8.346 -0.857 -0.100 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -7.386 -0.643 -1.260 0.00 0.00 +0.035 C ENDBRANCH 8 12 BRANCH 7 22 ATOM 22 C LIG 1 -0.156 -2.121 -0.465 0.00 0.00 +0.035 C BRANCH 22 23 ATOM 23 C LIG 1 0.929 -1.178 -0.999 0.00 0.00 +0.005 C BRANCH 23 24 ATOM 24 C LIG 1 1.179 0.026 -0.083 0.00 0.00 +0.000 C BRANCH 24 25 ATOM 25 C LIG 1 2.340 0.906 -0.563 0.00 0.00 +0.000 C BRANCH 25 26 ATOM 26 C LIG 1 3.672 0.652 0.151 0.00 0.00 +0.001 C BRANCH 26 27 ATOM 27 C LIG 1 4.245 -0.750 -0.070 0.00 0.00 +0.011 C BRANCH 27 28 ATOM 28 C LIG 1 5.638 -0.911 0.540 0.00 0.00 +0.120 C BRANCH 28 29 ATOM 29 C LIG 1 6.712 -0.182 -0.237 0.00 0.00 +0.308 C ATOM 30 O LIG 1 6.603 0.201 -1.392 0.00 0.00 -0.251 OA BRANCH 29 31 ATOM 31 O LIG 1 7.817 -0.053 0.546 0.00 0.00 -0.459 OA BRANCH 31 32 ATOM 32 C LIG 1 9.009 0.607 0.046 0.00 0.00 +0.105 C ATOM 33 C LIG 1 8.731 2.075 -0.295 0.00 0.00 +0.055 C ATOM 34 C LIG 1 9.609 -0.154 -1.142 0.00 0.00 +0.055 C ATOM 35 C LIG 1 10.004 0.554 1.215 0.00 0.00 +0.055 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 11