REMARK Name = BDB047102 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.552 -1.262 0.168 0.00 0.00 +0.080 A ATOM 2 C LIG 1 1.210 -2.341 1.000 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.104 -2.818 1.047 0.00 0.00 +0.048 A ATOM 4 C LIG 1 -1.098 -2.226 0.264 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -0.782 -1.150 -0.573 0.00 0.00 +0.068 A ATOM 6 C LIG 1 0.539 -0.674 -0.616 0.00 0.00 +0.044 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -1.778 -0.534 -1.377 0.00 0.00 -0.220 N ATOM 8 N LIG 1 -1.497 0.510 -2.194 0.00 0.00 -0.060 NA ATOM 9 N LIG 1 -2.613 0.886 -2.803 0.00 0.00 -0.133 NA ATOM 10 C LIG 1 -3.622 0.065 -2.383 0.00 0.00 +0.100 A ATOM 11 C LIG 1 -3.112 -0.845 -1.482 0.00 0.00 +0.141 A BRANCH 10 12 ATOM 12 C LIG 1 -5.021 0.249 -2.872 0.00 0.00 +0.162 C BRANCH 12 13 ATOM 13 N LIG 1 -5.831 1.248 -2.172 0.00 0.00 -0.323 N ATOM 14 H LIG 1 -5.294 2.101 -2.041 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 -6.367 0.841 -0.940 0.00 0.00 +0.119 A ATOM 16 N LIG 1 -6.294 -0.446 -0.547 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 -6.870 -0.781 0.630 0.00 0.00 +0.113 A ATOM 18 C LIG 1 -7.534 0.112 1.452 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -7.636 1.435 1.036 0.00 0.00 -0.046 A ATOM 20 C LIG 1 -8.325 2.460 1.884 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -7.037 1.797 -0.175 0.00 0.00 +0.046 A ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 5 7 BRANCH 1 24 ATOM 22 N LIG 1 3.913 -1.270 0.826 0.00 0.00 -0.281 N ATOM 23 H LIG 1 3.598 -2.046 1.403 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 2.935 -0.679 0.052 0.00 0.00 +0.252 C ATOM 25 O LIG 1 3.108 0.268 -0.709 0.00 0.00 -0.270 OA BRANCH 22 28 ATOM 26 C LIG 1 7.255 0.362 0.352 0.00 0.00 +0.061 A ATOM 27 C LIG 1 5.884 0.098 0.200 0.00 0.00 +0.038 A ATOM 28 C LIG 1 5.279 -0.937 0.918 0.00 0.00 +0.034 A ATOM 29 C LIG 1 6.059 -1.706 1.791 0.00 0.00 +0.023 A ATOM 30 C LIG 1 7.422 -1.450 1.948 0.00 0.00 +0.003 A ATOM 31 C LIG 1 8.019 -0.418 1.230 0.00 0.00 +0.015 A BRANCH 26 32 ATOM 32 C LIG 1 7.947 1.453 -0.390 0.00 0.00 +0.339 C ATOM 33 O LIG 1 9.138 1.696 -0.267 0.00 0.00 -0.245 OA BRANCH 32 35 ATOM 34 C LIG 1 7.677 3.177 -1.943 0.00 0.00 +0.280 C ATOM 35 O LIG 1 7.084 2.115 -1.197 0.00 0.00 -0.464 OA ENDBRANCH 32 35 ENDBRANCH 26 32 ENDBRANCH 22 28 ENDBRANCH 1 24 BRANCH 2 36 ATOM 36 O LIG 1 2.153 -2.954 1.786 0.00 0.00 -0.506 OA ATOM 37 H LIG 1 1.729 -3.675 2.284 0.00 0.00 +0.292 HD ENDBRANCH 2 36 TORSDOF 9