REMARK Name = BDB000303 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.997 -0.251 -0.268 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -0.819 0.269 0.298 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.395 -0.440 0.275 0.00 0.00 +0.079 A ATOM 4 N LIG 1 1.609 0.112 0.775 0.00 0.00 -0.263 N ATOM 5 C LIG 1 2.789 -0.629 0.727 0.00 0.00 +0.268 C ATOM 6 C LIG 1 2.620 -2.145 0.421 0.00 0.00 +0.208 C ATOM 7 O LIG 1 1.498 -2.518 -0.385 0.00 0.00 -0.470 OA ATOM 8 C LIG 1 2.421 -2.850 1.780 0.00 0.00 +0.071 C ATOM 9 O LIG 1 3.882 -0.118 0.987 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.401 -1.712 -0.301 0.00 0.00 +0.144 A ATOM 11 C LIG 1 -0.754 -2.237 -0.885 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -1.943 -1.510 -0.876 0.00 0.00 +0.012 A ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -4.305 0.198 0.638 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -3.255 0.512 -0.227 0.00 0.00 +0.043 A ATOM 15 C LIG 1 -3.501 1.604 -1.069 0.00 0.00 +0.129 A ATOM 16 N LIG 1 -4.657 2.287 -1.062 0.00 0.00 -0.199 NA ATOM 17 C LIG 1 -5.605 1.879 -0.226 0.00 0.00 +0.214 A ATOM 18 N LIG 1 -5.475 0.879 0.644 0.00 0.00 -0.219 NA BRANCH 15 19 ATOM 19 N LIG 1 -2.505 2.118 -1.917 0.00 0.00 -0.343 N ATOM 20 H LIG 1 -1.790 2.588 -1.347 0.00 0.00 +0.144 HD ATOM 21 H LIG 1 -2.045 1.371 -2.425 0.00 0.00 +0.144 HD ENDBRANCH 15 19 BRANCH 17 22 ATOM 22 N LIG 1 -6.792 2.583 -0.214 0.00 0.00 -0.327 N ATOM 23 H LIG 1 -6.623 3.509 -0.583 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -7.216 2.513 0.699 0.00 0.00 +0.145 HD ENDBRANCH 17 22 BRANCH 13 26 ATOM 25 C LIG 1 -5.005 -2.147 1.207 0.00 0.00 +0.010 C ATOM 26 C LIG 1 -4.229 -0.917 1.654 0.00 0.00 +0.053 C ENDBRANCH 13 26 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 3.852 -2.649 -0.355 0.00 0.00 +0.004 A ATOM 28 C LIG 1 4.915 -3.337 0.255 0.00 0.00 +0.008 A ATOM 29 C LIG 1 6.020 -3.759 -0.490 0.00 0.00 +0.000 A ATOM 30 C LIG 1 6.089 -3.497 -1.855 0.00 0.00 +0.000 A ATOM 31 C LIG 1 5.055 -2.808 -2.479 0.00 0.00 +0.000 A ATOM 32 C LIG 1 3.951 -2.384 -1.737 0.00 0.00 +0.008 A ENDBRANCH 6 27 BRANCH 4 33 ATOM 33 C LIG 1 1.718 1.538 1.090 0.00 0.00 +0.132 C BRANCH 33 34 ATOM 34 C LIG 1 2.053 2.374 -0.155 0.00 0.00 +0.123 C BRANCH 34 35 ATOM 35 N LIG 1 1.736 3.780 0.009 0.00 0.00 -0.314 N ATOM 36 H LIG 1 2.482 4.424 0.243 0.00 0.00 +0.149 HD ATOM 37 C LIG 1 0.449 4.240 -0.147 0.00 0.00 +0.210 C ATOM 38 O LIG 1 -0.499 3.501 -0.402 0.00 0.00 -0.276 OA ATOM 39 C LIG 1 0.284 5.723 0.039 0.00 0.00 +0.109 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 8