REMARK Name = BDB034165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.395 1.323 1.989 0.00 0.00 -0.294 NA ATOM 2 C LIG 1 -0.928 1.898 0.714 0.00 0.00 +0.089 C ATOM 3 C LIG 1 0.434 1.358 0.240 0.00 0.00 +0.051 C ATOM 4 C LIG 1 1.441 1.265 1.365 0.00 0.00 -0.040 C ATOM 5 C LIG 1 1.031 1.379 2.643 0.00 0.00 -0.007 C ATOM 6 C LIG 1 -0.405 1.596 3.042 0.00 0.00 +0.112 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.862 1.051 1.018 0.00 0.00 -0.004 A ATOM 8 C LIG 1 3.245 0.208 -0.028 0.00 0.00 +0.119 A ATOM 9 N LIG 1 4.526 -0.022 -0.412 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 5.490 0.636 0.289 0.00 0.00 +0.125 A ATOM 11 C LIG 1 5.225 1.502 1.339 0.00 0.00 +0.033 A ATOM 12 C LIG 1 3.893 1.710 1.700 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 C LIG 1 6.903 0.378 -0.141 0.00 0.00 +0.264 C ATOM 14 N LIG 1 6.995 -0.503 -1.199 0.00 0.00 -0.292 N ATOM 15 H LIG 1 6.095 -0.849 -1.534 0.00 0.00 +0.151 HD ATOM 16 O LIG 1 7.841 0.923 0.426 0.00 0.00 -0.268 OA BRANCH 14 17 ATOM 17 C LIG 1 8.189 -0.971 -1.859 0.00 0.00 +0.122 C ATOM 18 C LIG 1 9.472 -1.202 -1.084 0.00 0.00 +0.044 C ATOM 19 C LIG 1 9.385 -0.057 -2.050 0.00 0.00 +0.044 C BRANCH 17 20 ATOM 20 C LIG 1 7.920 -1.905 -2.942 0.00 0.00 +0.088 C ATOM 21 N LIG 1 7.684 -2.648 -3.801 0.00 0.00 -0.194 NA ENDBRANCH 17 20 ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 C LIG 1 -1.701 -0.116 1.909 0.00 0.00 +0.121 C BRANCH 22 32 ATOM 23 C LIG 1 -7.250 -0.871 -1.423 0.00 0.00 +0.019 A ATOM 24 C LIG 1 -7.471 0.181 -0.375 0.00 0.00 +0.252 A ATOM 25 O LIG 1 -8.549 0.753 -0.248 0.00 0.00 -0.268 OA ATOM 26 N LIG 1 -6.411 0.480 0.442 0.00 0.00 -0.321 N ATOM 27 H LIG 1 -6.576 1.189 1.143 0.00 0.00 +0.169 HD ATOM 28 C LIG 1 -5.159 -0.133 0.327 0.00 0.00 +0.068 A ATOM 29 C LIG 1 -4.944 -1.098 -0.654 0.00 0.00 +0.088 A ATOM 30 N LIG 1 -3.768 -1.736 -0.836 0.00 0.00 -0.253 NA ATOM 31 C LIG 1 -2.764 -1.389 0.003 0.00 0.00 +0.116 A ATOM 32 C LIG 1 -2.873 -0.430 1.010 0.00 0.00 -0.013 A ATOM 33 C LIG 1 -4.111 0.204 1.173 0.00 0.00 +0.034 A ATOM 34 C LIG 1 -6.043 -1.453 -1.545 0.00 0.00 +0.038 A BRANCH 23 36 ATOM 35 C LIG 1 -9.429 -2.101 -1.655 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -8.407 -1.196 -2.328 0.00 0.00 +0.037 C ENDBRANCH 23 36 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 7