REMARK Name = BDB039349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.084 1.859 -1.980 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -2.348 1.328 -3.195 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -1.576 0.234 -3.668 0.00 0.00 +0.066 A ATOM 4 N LIG 1 -0.550 -0.244 -2.864 0.00 0.00 -0.299 N ATOM 5 C LIG 1 0.005 -1.301 -3.549 0.00 0.00 +0.204 A ATOM 6 N LIG 1 -0.576 -1.506 -4.712 0.00 0.00 -0.243 NA ATOM 7 C LIG 1 -0.231 0.308 -1.615 0.00 0.00 +0.055 A ATOM 8 C LIG 1 -1.561 -0.555 -4.795 0.00 0.00 +0.138 A ATOM 9 C LIG 1 -0.971 1.347 -1.171 0.00 0.00 +0.031 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 0.881 -0.188 -0.789 0.00 0.00 -0.001 A ATOM 11 C LIG 1 2.207 0.107 -1.154 0.00 0.00 +0.016 A ATOM 12 C LIG 1 3.232 -0.372 -0.355 0.00 0.00 -0.017 A ATOM 13 C LIG 1 4.708 -0.246 -0.514 0.00 0.00 +0.144 C ATOM 14 N LIG 1 5.235 -0.833 0.718 0.00 0.00 -0.282 N ATOM 15 C LIG 1 4.214 -1.496 1.406 0.00 0.00 +0.248 C ATOM 16 O LIG 1 4.314 -2.255 2.349 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 2.944 -1.125 0.778 0.00 0.00 +0.042 A ATOM 18 C LIG 1 1.655 -1.436 1.164 0.00 0.00 +0.014 A ATOM 19 C LIG 1 0.613 -0.954 0.368 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 6.621 -1.317 0.807 0.00 0.00 +0.163 C ATOM 21 C LIG 1 7.100 -1.482 2.259 0.00 0.00 +0.240 C ATOM 22 O LIG 1 7.513 -2.546 2.713 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 7.203 -0.317 2.976 0.00 0.00 -0.255 N ATOM 24 H LIG 1 7.496 -0.471 3.932 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 7.818 0.775 2.430 0.00 0.00 +0.219 C ATOM 26 O LIG 1 8.471 1.550 3.123 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 7.652 0.980 0.940 0.00 0.00 +0.098 C ATOM 28 C LIG 1 7.625 -0.344 0.176 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 7 10 BRANCH 1 29 ATOM 29 C LIG 1 -2.886 3.006 -1.409 0.00 0.00 +0.116 C BRANCH 29 30 ATOM 30 N LIG 1 -3.707 2.628 -0.262 0.00 0.00 -0.308 NA ATOM 31 H LIG 1 -3.173 2.057 0.390 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 -4.923 1.914 -0.646 0.00 0.00 +0.118 C BRANCH 32 41 ATOM 33 C LIG 1 -4.041 -1.223 -0.448 0.00 0.00 +0.149 C ATOM 34 N LIG 1 -4.939 -1.085 0.678 0.00 0.00 -0.349 N ATOM 35 C LIG 1 -5.597 0.067 1.088 0.00 0.00 +0.053 A ATOM 36 C LIG 1 -6.314 -0.299 2.241 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.087 0.661 2.922 0.00 0.00 +0.010 A ATOM 38 C LIG 1 -7.131 1.970 2.454 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -6.423 2.323 1.312 0.00 0.00 +0.007 A ATOM 40 C LIG 1 -6.080 -1.678 2.488 0.00 0.00 +0.027 A ATOM 41 C LIG 1 -5.645 1.394 0.579 0.00 0.00 -0.010 A ATOM 42 C LIG 1 -5.234 -2.135 1.511 0.00 0.00 +0.086 A ENDBRANCH 32 41 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 6