REMARK Name = BDB027119 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.032 -0.155 -0.378 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -2.280 0.951 -0.871 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.192 1.005 -0.972 0.00 0.00 +0.039 A ATOM 4 C LIG 1 2.975 -0.148 -0.199 0.00 0.00 +0.039 A ATOM 5 C LIG 1 1.646 -0.541 0.024 0.00 0.00 +0.048 A ATOM 6 C LIG 1 0.550 0.161 -0.482 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.642 -0.531 -0.069 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -0.219 -1.607 0.693 0.00 0.00 +0.095 A ATOM 9 C LIG 1 0.798 1.324 -1.243 0.00 0.00 +0.011 A ATOM 10 N LIG 1 1.150 -1.605 0.736 0.00 0.00 -0.360 N ATOM 11 H LIG 1 1.717 -2.287 1.222 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 2.115 1.739 -1.474 0.00 0.00 +0.014 A BRANCH 3 15 ATOM 13 N LIG 1 5.540 0.524 -1.401 0.00 0.00 -0.306 N ATOM 14 H LIG 1 5.237 -0.438 -1.482 0.00 0.00 +0.149 HD ATOM 15 C LIG 1 4.568 1.494 -1.256 0.00 0.00 +0.244 C ATOM 16 O LIG 1 4.788 2.693 -1.375 0.00 0.00 -0.270 OA BRANCH 13 19 ATOM 17 N LIG 1 8.877 0.895 -0.970 0.00 0.00 -0.299 NA ATOM 18 C LIG 1 7.700 1.760 -0.742 0.00 0.00 +0.108 C ATOM 19 C LIG 1 6.933 0.876 -1.763 0.00 0.00 +0.101 C ATOM 20 C LIG 1 7.989 -0.202 -1.395 0.00 0.00 +0.108 C BRANCH 17 22 ATOM 21 C LIG 1 8.992 0.074 1.491 0.00 0.00 +0.020 C ATOM 22 C LIG 1 9.664 0.620 0.231 0.00 0.00 +0.081 C ENDBRANCH 17 22 ENDBRANCH 13 19 ENDBRANCH 3 15 ENDBRANCH 1 7 BRANCH 1 23 ATOM 23 C LIG 1 -3.193 -1.133 -0.012 0.00 0.00 +0.156 C BRANCH 23 24 ATOM 24 C LIG 1 -3.081 -2.469 -0.732 0.00 0.00 -0.023 A ATOM 25 C LIG 1 -2.947 -2.528 -2.129 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -2.847 -3.757 -2.782 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -2.891 -4.942 -2.051 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -3.042 -4.901 -0.666 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -3.142 -3.672 -0.010 0.00 0.00 +0.005 A ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 N LIG 1 -4.492 -0.488 -0.337 0.00 0.00 -0.303 NA ATOM 31 H LIG 1 -4.375 0.523 -0.221 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 -5.590 -0.966 0.504 0.00 0.00 +0.086 C BRANCH 32 33 ATOM 33 C LIG 1 -6.913 -0.260 0.163 0.00 0.00 +0.050 C BRANCH 33 34 ATOM 34 C LIG 1 -6.941 1.197 0.566 0.00 0.00 -0.046 A ATOM 35 C LIG 1 -6.636 2.196 -0.368 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.643 3.542 0.005 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -6.957 3.903 1.319 0.00 0.00 +0.052 A ATOM 38 C LIG 1 -7.260 2.911 2.256 0.00 0.00 +0.019 A ATOM 39 C LIG 1 -7.250 1.565 1.882 0.00 0.00 +0.005 A BRANCH 37 40 ATOM 40 C LIG 1 -6.968 5.284 1.704 0.00 0.00 +0.099 C ATOM 41 N LIG 1 -6.981 6.400 2.023 0.00 0.00 -0.191 NA ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 11