REMARK Name = BDB038734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.295 -0.885 -0.713 0.00 0.00 +0.129 A ATOM 2 N LIG 1 1.923 -2.058 -0.966 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 3.275 -2.116 -0.912 0.00 0.00 +0.047 A ATOM 4 C LIG 1 4.032 -0.982 -0.633 0.00 0.00 +0.032 A ATOM 5 C LIG 1 3.403 0.233 -0.354 0.00 0.00 -0.012 A ATOM 6 C LIG 1 2.005 0.266 -0.401 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.722 -0.476 -0.908 0.00 0.00 -0.033 A ATOM 8 C LIG 1 -3.553 0.285 -0.746 0.00 0.00 +0.018 A ATOM 9 C LIG 1 -2.339 -0.374 -0.801 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -0.982 0.174 -0.664 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.110 -0.900 -0.785 0.00 0.00 -0.248 N ATOM 12 C LIG 1 -0.805 -2.154 -1.022 0.00 0.00 +0.151 C ATOM 13 O LIG 1 -0.765 1.360 -0.499 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -2.240 -1.746 -1.013 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -3.379 -2.513 -1.179 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -4.622 -1.870 -1.127 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 -6.083 0.201 -0.867 0.00 0.00 +0.119 C BRANCH 17 19 ATOM 18 C LIG 1 -6.480 -0.024 1.518 0.00 0.00 +0.105 C ATOM 19 N LIG 1 -6.331 0.910 0.397 0.00 0.00 -0.298 NA BRANCH 19 20 ATOM 20 C LIG 1 -7.464 1.859 0.421 0.00 0.00 +0.057 C ATOM 21 C LIG 1 -7.347 2.941 -0.668 0.00 0.00 +0.019 C ATOM 22 C LIG 1 -8.472 2.247 -1.461 0.00 0.00 +0.003 C ATOM 23 C LIG 1 -8.753 1.347 -0.244 0.00 0.00 +0.019 C ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 24 ATOM 24 C LIG 1 4.175 1.451 -0.032 0.00 0.00 -0.007 A ATOM 25 C LIG 1 5.054 1.546 1.075 0.00 0.00 +0.028 A ATOM 26 C LIG 1 5.734 2.754 1.325 0.00 0.00 +0.031 A ATOM 27 C LIG 1 5.571 3.860 0.484 0.00 0.00 +0.052 A ATOM 28 C LIG 1 4.718 3.769 -0.614 0.00 0.00 +0.019 A ATOM 29 C LIG 1 4.028 2.580 -0.864 0.00 0.00 +0.010 A BRANCH 25 30 ATOM 30 C LIG 1 5.254 0.433 2.005 0.00 0.00 +0.164 A ATOM 31 N LIG 1 6.443 -0.217 2.240 0.00 0.00 -0.317 N ATOM 32 C LIG 1 7.714 0.018 1.609 0.00 0.00 +0.152 C ATOM 33 C LIG 1 6.181 -1.180 3.164 0.00 0.00 +0.225 A ATOM 34 N LIG 1 4.911 -1.144 3.485 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 4.328 -0.134 2.755 0.00 0.00 -0.129 NA ENDBRANCH 25 30 BRANCH 27 36 ATOM 36 C LIG 1 6.280 5.076 0.751 0.00 0.00 +0.099 C ATOM 37 N LIG 1 6.874 6.050 0.965 0.00 0.00 -0.191 NA ENDBRANCH 27 36 ENDBRANCH 5 24 BRANCH 3 38 ATOM 38 C LIG 1 3.949 -3.441 -1.179 0.00 0.00 +0.038 C ATOM 39 C LIG 1 3.437 -4.695 -0.508 0.00 0.00 +0.010 C ATOM 40 C LIG 1 4.752 -4.111 -0.086 0.00 0.00 +0.010 C ENDBRANCH 3 38 TORSDOF 8