REMARK Name = BDB029439 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.282 1.736 0.636 0.00 0.00 +0.119 A ATOM 2 N LIG 1 -0.820 0.500 0.559 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 -2.167 0.385 0.662 0.00 0.00 +0.126 A ATOM 4 C LIG 1 -3.029 1.460 0.803 0.00 0.00 +0.055 A ATOM 5 C LIG 1 -2.467 2.730 0.888 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -1.082 2.867 0.793 0.00 0.00 +0.044 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.497 1.289 0.896 0.00 0.00 +0.250 C ATOM 8 N LIG 1 -5.027 0.310 0.073 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -4.406 -0.113 -0.606 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -5.114 2.034 1.647 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 -6.376 -0.099 -0.009 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -6.692 -1.045 -0.999 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -8.002 -1.478 -1.108 0.00 0.00 -0.016 A ATOM 14 C LIG 1 -8.615 -2.462 -2.060 0.00 0.00 +0.133 C ATOM 15 C LIG 1 -10.085 -2.460 -1.622 0.00 0.00 +0.222 C ATOM 16 N LIG 1 -10.204 -1.569 -0.562 0.00 0.00 -0.285 N ATOM 17 H LIG 1 -11.080 -1.387 -0.095 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -10.990 -3.116 -2.109 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -8.985 -0.988 -0.255 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -8.713 -0.066 0.728 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -7.390 0.379 0.847 0.00 0.00 +0.025 A ENDBRANCH 8 11 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 N LIG 1 1.103 1.925 0.503 0.00 0.00 -0.327 N ATOM 23 H LIG 1 1.421 2.515 1.271 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 1.910 0.698 0.459 0.00 0.00 +0.131 C BRANCH 24 25 ATOM 25 C LIG 1 2.172 0.152 1.871 0.00 0.00 +0.178 C BRANCH 25 26 ATOM 26 O LIG 1 2.766 1.119 2.752 0.00 0.00 -0.376 OA BRANCH 26 27 ATOM 27 C LIG 1 4.096 1.540 2.429 0.00 0.00 +0.188 C BRANCH 27 28 ATOM 28 C LIG 1 5.133 0.411 2.463 0.00 0.00 +0.188 C BRANCH 28 29 ATOM 29 O LIG 1 5.147 -0.342 1.244 0.00 0.00 -0.375 OA BRANCH 29 30 ATOM 30 C LIG 1 5.979 0.239 0.239 0.00 0.00 +0.188 C BRANCH 30 31 ATOM 31 C LIG 1 5.869 -0.590 -1.040 0.00 0.00 +0.188 C BRANCH 31 32 ATOM 32 O LIG 1 6.683 -0.046 -2.079 0.00 0.00 -0.376 OA BRANCH 32 33 ATOM 33 C LIG 1 8.025 -0.534 -2.076 0.00 0.00 +0.186 C BRANCH 33 34 ATOM 34 C LIG 1 8.137 -1.834 -2.876 0.00 0.00 +0.209 C BRANCH 34 37 ATOM 35 N LIG 1 10.071 -3.892 -1.177 0.00 0.00 +0.068 NA ATOM 36 N LIG 1 9.814 -3.140 -1.994 0.00 0.00 -0.167 NA ATOM 37 N LIG 1 9.526 -2.312 -2.876 0.00 0.00 -0.108 NA ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 15