REMARK Name = BDB004985 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.103 -1.128 -1.494 0.00 0.00 +0.102 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.266 -1.548 0.284 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.248 -1.105 -0.573 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -1.052 -1.648 -0.523 0.00 0.00 -0.026 A ATOM 5 C LIG 1 -1.317 -2.632 0.437 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.310 -3.079 1.294 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.976 -2.543 1.215 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 3.696 -1.270 0.818 0.00 0.00 +0.248 C ATOM 9 N LIG 1 2.529 -0.932 0.158 0.00 0.00 -0.281 N ATOM 10 H LIG 1 2.591 -0.203 -0.540 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 3.871 -2.225 1.564 0.00 0.00 -0.270 OA BRANCH 8 15 ATOM 12 C LIG 1 7.097 1.226 -0.003 0.00 0.00 +0.120 A ATOM 13 C LIG 1 5.821 1.791 0.077 0.00 0.00 +0.046 A ATOM 14 C LIG 1 4.702 0.998 0.347 0.00 0.00 +0.016 A ATOM 15 C LIG 1 4.857 -0.381 0.528 0.00 0.00 +0.037 A ATOM 16 C LIG 1 6.136 -0.946 0.467 0.00 0.00 +0.016 A ATOM 17 C LIG 1 7.252 -0.146 0.196 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 9.422 1.601 -0.329 0.00 0.00 +0.277 C ATOM 19 O LIG 1 8.098 2.118 -0.274 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 8 15 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 N LIG 1 -2.480 0.262 -1.187 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -2.982 0.684 -1.963 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.156 0.586 0.003 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -3.378 1.944 0.319 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -4.078 2.214 1.512 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -4.319 3.566 1.837 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -3.868 4.611 1.007 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -3.166 4.336 -0.154 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -4.489 1.199 2.304 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -4.205 -0.050 1.920 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -2.921 3.013 -0.494 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -3.569 -0.402 0.806 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -5.058 3.995 3.066 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -5.239 5.181 3.325 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -5.536 3.036 3.908 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -5.360 2.052 3.729 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -6.005 3.318 4.757 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 -3.337 -2.009 -1.798 0.00 0.00 +0.029 C BRANCH 37 38 ATOM 38 C LIG 1 -3.031 -3.359 -2.462 0.00 0.00 +0.030 C BRANCH 38 39 ATOM 39 C LIG 1 -2.336 -3.246 -3.813 0.00 0.00 +0.156 C BRANCH 39 40 ATOM 40 O LIG 1 -2.257 -4.530 -4.418 0.00 0.00 -0.395 OA ATOM 41 H LIG 1 -1.736 -5.102 -3.828 0.00 0.00 +0.209 HD ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 11