REMARK Name = BDB032255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.863 1.646 -0.115 0.00 0.00 +0.122 A ATOM 2 N LIG 1 0.238 2.152 0.971 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 -1.114 2.229 0.966 0.00 0.00 +0.118 A ATOM 4 C LIG 1 -1.917 1.827 -0.091 0.00 0.00 -0.012 A ATOM 5 C LIG 1 -1.265 1.325 -1.216 0.00 0.00 +0.010 A ATOM 6 C LIG 1 0.127 1.238 -1.228 0.00 0.00 +0.044 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.238 -0.733 0.107 0.00 0.00 +0.090 A ATOM 8 N LIG 1 4.969 -1.066 -0.342 0.00 0.00 -0.233 NA ATOM 9 C LIG 1 4.223 -0.004 -0.115 0.00 0.00 +0.128 A ATOM 10 C LIG 1 2.756 0.188 -0.382 0.00 0.00 +0.180 C ATOM 11 N LIG 1 2.268 1.565 -0.130 0.00 0.00 -0.306 N ATOM 12 C LIG 1 2.906 2.212 1.033 0.00 0.00 +0.128 C ATOM 13 C LIG 1 4.422 2.287 0.824 0.00 0.00 +0.142 C ATOM 14 N LIG 1 4.964 0.992 0.468 0.00 0.00 -0.331 N ATOM 15 C LIG 1 6.244 0.551 0.616 0.00 0.00 +0.113 A BRANCH 7 17 ATOM 16 C LIG 1 7.929 -2.106 1.357 0.00 0.00 +0.048 C ATOM 17 C LIG 1 7.355 -1.741 -0.013 0.00 0.00 +0.104 C ATOM 18 C LIG 1 8.462 -1.237 -0.941 0.00 0.00 +0.048 C BRANCH 17 19 ATOM 19 O LIG 1 6.856 -2.961 -0.590 0.00 0.00 -0.383 OA ATOM 20 H LIG 1 5.910 -2.772 -0.769 0.00 0.00 +0.211 HD ENDBRANCH 17 19 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 4 21 ATOM 21 C LIG 1 -3.414 1.954 -0.033 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 -4.021 0.640 -0.206 0.00 0.00 -0.339 N ATOM 23 H LIG 1 -3.551 -0.060 0.364 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 -5.420 0.481 -0.130 0.00 0.00 +0.035 A ATOM 25 C LIG 1 -5.984 -0.836 -0.128 0.00 0.00 +0.008 A ATOM 26 C LIG 1 -7.391 -1.002 -0.071 0.00 0.00 +0.023 A ATOM 27 C LIG 1 -7.908 -2.317 -0.053 0.00 0.00 +0.124 A ATOM 28 N LIG 1 -7.147 -3.425 -0.077 0.00 0.00 -0.240 NA ATOM 29 C LIG 1 -5.817 -3.248 -0.150 0.00 0.00 +0.113 A ATOM 30 C LIG 1 -8.214 0.141 -0.041 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -7.671 1.418 -0.102 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -5.204 -2.008 -0.184 0.00 0.00 +0.030 A ATOM 33 C LIG 1 -6.291 1.582 -0.165 0.00 0.00 +0.023 A BRANCH 27 34 ATOM 34 N LIG 1 -9.285 -2.571 -0.011 0.00 0.00 -0.343 N ATOM 35 H LIG 1 -9.378 -3.584 -0.040 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 -9.745 -2.139 -0.804 0.00 0.00 +0.144 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 7