REMARK Name = BDB004994 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.503 -1.172 1.683 0.00 0.00 -0.029 A ATOM 2 C LIG 1 0.711 -0.800 1.081 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.787 -1.697 1.000 0.00 0.00 +0.034 A ATOM 4 C LIG 1 1.637 -2.978 1.534 0.00 0.00 +0.023 A ATOM 5 C LIG 1 0.433 -3.361 2.130 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.632 -2.465 2.203 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.967 -1.229 0.387 0.00 0.00 -0.280 N ATOM 8 H LIG 1 2.940 -0.279 0.054 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 4.123 -1.935 0.118 0.00 0.00 +0.266 C ATOM 10 O LIG 1 4.278 -3.135 0.313 0.00 0.00 -0.268 OA BRANCH 9 11 ATOM 11 C LIG 1 5.185 -1.153 -0.479 0.00 0.00 +0.124 A ATOM 12 C LIG 1 5.458 0.198 -0.625 0.00 0.00 +0.005 A ATOM 13 C LIG 1 4.746 1.433 -0.192 0.00 0.00 +0.039 C ATOM 14 C LIG 1 5.662 2.669 -0.259 0.00 0.00 +0.005 C ATOM 15 C LIG 1 6.472 2.719 -1.565 0.00 0.00 +0.007 C ATOM 16 C LIG 1 7.396 1.499 -1.711 0.00 0.00 +0.057 C ATOM 17 C LIG 1 6.684 0.245 -1.338 0.00 0.00 +0.067 A ATOM 18 N LIG 1 7.167 -0.966 -1.606 0.00 0.00 -0.178 NA ATOM 19 N LIG 1 6.260 -1.790 -1.055 0.00 0.00 -0.272 N ATOM 20 H LIG 1 6.410 -2.793 -1.105 0.00 0.00 +0.189 HD ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 21 ATOM 21 C LIG 1 -1.663 -0.205 1.750 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 -2.699 -0.653 0.827 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.317 -0.813 -0.101 0.00 0.00 +0.148 HD BRANCH 22 27 ATOM 24 C LIG 1 -7.036 0.395 -1.064 0.00 0.00 +0.063 A ATOM 25 C LIG 1 -5.975 0.723 -0.193 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -4.885 -0.167 -0.132 0.00 0.00 +0.041 A ATOM 27 C LIG 1 -3.827 0.187 0.732 0.00 0.00 +0.130 A ATOM 28 N LIG 1 -3.863 1.291 1.494 0.00 0.00 -0.220 NA ATOM 29 C LIG 1 -4.941 2.062 1.375 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -4.888 -1.355 -0.906 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -5.944 -1.661 -1.753 0.00 0.00 +0.002 A ATOM 32 N LIG 1 -5.985 1.842 0.567 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 -7.013 -0.784 -1.835 0.00 0.00 +0.015 A BRANCH 24 37 ATOM 34 N LIG 1 -8.342 2.406 -0.517 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -7.612 2.672 0.137 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -9.166 2.982 -0.616 0.00 0.00 +0.145 HD ATOM 37 C LIG 1 -8.251 1.252 -1.237 0.00 0.00 +0.244 C ATOM 38 O LIG 1 -9.154 0.939 -2.005 0.00 0.00 -0.270 OA ENDBRANCH 24 37 ENDBRANCH 22 27 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6