REMARK Name = BDB052327 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.940 2.417 -3.974 0.00 0.00 -0.271 N ATOM 2 N LIG 1 2.225 2.114 -3.731 0.00 0.00 -0.171 NA ATOM 3 C LIG 1 2.245 1.723 -2.443 0.00 0.00 +0.100 A ATOM 4 C LIG 1 0.939 1.827 -1.867 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.132 2.283 -2.888 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 0.461 1.619 -0.518 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -0.606 0.733 -0.267 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -0.996 0.585 1.058 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -2.023 -0.313 1.102 0.00 0.00 -0.335 N ATOM 10 H LIG 1 -2.451 -0.620 1.962 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -2.340 -0.755 -0.164 0.00 0.00 +0.104 A ATOM 12 N LIG 1 -0.476 1.188 2.142 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 0.546 2.022 1.843 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -1.447 -0.130 -1.025 0.00 0.00 +0.043 A ATOM 15 C LIG 1 1.043 2.271 0.572 0.00 0.00 +0.029 A BRANCH 11 16 ATOM 16 C LIG 1 -3.371 -1.712 -0.499 0.00 0.00 +0.260 C ATOM 17 N LIG 1 -4.288 -1.949 0.505 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -4.437 -1.197 1.163 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 -3.443 -2.258 -1.596 0.00 0.00 -0.269 OA BRANCH 17 20 ATOM 20 C LIG 1 -5.485 -2.728 0.231 0.00 0.00 +0.120 C BRANCH 20 21 ATOM 21 C LIG 1 -6.603 -1.844 -0.354 0.00 0.00 +0.103 C BRANCH 21 22 ATOM 22 N LIG 1 -6.926 -0.686 0.510 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 -7.792 0.287 -0.195 0.00 0.00 +0.100 C ATOM 24 C LIG 1 -9.293 0.159 0.145 0.00 0.00 +0.099 C ATOM 25 N LIG 1 -9.576 0.388 1.576 0.00 0.00 -0.303 NA ATOM 26 C LIG 1 -10.829 -0.251 1.965 0.00 0.00 +0.105 C ATOM 27 C LIG 1 -8.447 -0.034 2.427 0.00 0.00 +0.099 C ATOM 28 C LIG 1 -7.544 -1.113 1.788 0.00 0.00 +0.100 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 11 16 ENDBRANCH 4 6 BRANCH 3 29 ATOM 29 C LIG 1 3.498 1.283 -1.823 0.00 0.00 +0.003 A ATOM 30 C LIG 1 4.708 1.893 -2.175 0.00 0.00 +0.012 A ATOM 31 C LIG 1 5.911 1.488 -1.586 0.00 0.00 +0.024 A ATOM 32 C LIG 1 5.932 0.460 -0.636 0.00 0.00 +0.035 A ATOM 33 C LIG 1 4.729 -0.156 -0.289 0.00 0.00 +0.024 A ATOM 34 C LIG 1 3.524 0.246 -0.883 0.00 0.00 +0.012 A BRANCH 32 35 ATOM 35 N LIG 1 7.185 0.121 -0.084 0.00 0.00 -0.269 N ATOM 36 H LIG 1 7.976 0.619 -0.460 0.00 0.00 +0.156 HD ATOM 37 C LIG 1 7.476 -0.914 0.795 0.00 0.00 +0.308 C ATOM 38 N LIG 1 8.811 -0.857 1.172 0.00 0.00 -0.269 N ATOM 39 H LIG 1 9.300 -0.006 0.946 0.00 0.00 +0.156 HD ATOM 40 O LIG 1 6.673 -1.752 1.183 0.00 0.00 -0.252 OA BRANCH 38 41 ATOM 41 C LIG 1 9.520 -1.774 1.976 0.00 0.00 +0.035 A ATOM 42 C LIG 1 10.831 -1.430 2.335 0.00 0.00 +0.023 A ATOM 43 C LIG 1 11.605 -2.288 3.122 0.00 0.00 +0.002 A ATOM 44 C LIG 1 11.077 -3.500 3.555 0.00 0.00 +0.000 A ATOM 45 C LIG 1 9.778 -3.854 3.199 0.00 0.00 +0.002 A ATOM 46 C LIG 1 9.004 -2.996 2.410 0.00 0.00 +0.023 A ENDBRANCH 38 41 ENDBRANCH 32 35 ENDBRANCH 3 29 BRANCH 1 48 ATOM 47 C LIG 1 0.784 4.338 -5.508 0.00 0.00 +0.029 C ATOM 48 C LIG 1 0.544 2.854 -5.298 0.00 0.00 +0.140 C ENDBRANCH 1 48 TORSDOF 9