REMARK Name = BDB042383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.767 -0.341 0.599 0.00 0.00 +0.051 A ATOM 2 C LIG 1 3.130 0.727 -0.092 0.00 0.00 +0.054 A ATOM 3 C LIG 1 1.850 0.549 -0.635 0.00 0.00 +0.033 A ATOM 4 C LIG 1 1.135 -0.644 -0.452 0.00 0.00 -0.016 A ATOM 5 C LIG 1 1.752 -1.670 0.278 0.00 0.00 +0.010 A ATOM 6 C LIG 1 3.046 -1.522 0.791 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 7.719 -3.565 1.273 0.00 0.00 +0.105 C ATOM 8 N LIG 1 7.198 -2.200 1.313 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 6.138 -2.074 2.335 0.00 0.00 +0.103 C ATOM 10 C LIG 1 5.477 -0.674 2.378 0.00 0.00 +0.120 C ATOM 11 N LIG 1 5.086 -0.151 1.051 0.00 0.00 -0.326 N ATOM 12 C LIG 1 6.114 -0.362 0.004 0.00 0.00 +0.120 C ATOM 13 C LIG 1 6.654 -1.808 -0.003 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 C LIG 1 -0.222 -0.809 -1.002 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -1.215 0.159 -0.776 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -2.508 0.009 -1.294 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -2.834 -1.124 -2.045 0.00 0.00 +0.037 A ATOM 18 C LIG 1 -1.851 -2.088 -2.292 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -0.562 -1.933 -1.772 0.00 0.00 +0.009 A BRANCH 17 20 ATOM 20 C LIG 1 -4.194 -1.335 -2.618 0.00 0.00 +0.244 C ATOM 21 N LIG 1 -5.231 -0.685 -1.988 0.00 0.00 -0.310 N ATOM 22 H LIG 1 -5.101 -0.329 -1.049 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -4.354 -2.079 -3.579 0.00 0.00 -0.270 OA BRANCH 21 24 ATOM 24 C LIG 1 -6.611 -0.949 -2.353 0.00 0.00 +0.120 C BRANCH 24 25 ATOM 25 C LIG 1 -7.568 0.009 -1.624 0.00 0.00 +0.103 C BRANCH 25 26 ATOM 26 N LIG 1 -7.308 0.104 -0.168 0.00 0.00 -0.297 NA ATOM 27 C LIG 1 -7.663 -1.153 0.532 0.00 0.00 +0.112 C ATOM 28 C LIG 1 -7.492 -1.015 2.055 0.00 0.00 +0.175 C ATOM 29 O LIG 1 -8.288 0.058 2.572 0.00 0.00 -0.377 OA ATOM 30 C LIG 1 -7.922 1.290 1.939 0.00 0.00 +0.175 C ATOM 31 C LIG 1 -8.108 1.205 0.416 0.00 0.00 +0.112 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 17 20 ENDBRANCH 4 14 BRANCH 2 32 ATOM 32 N LIG 1 3.868 1.932 -0.267 0.00 0.00 -0.296 N ATOM 33 H LIG 1 4.663 1.883 0.379 0.00 0.00 +0.154 HD BRANCH 32 34 ATOM 34 C LIG 1 3.381 3.268 -0.283 0.00 0.00 +0.148 A ATOM 35 C LIG 1 4.326 4.280 -0.495 0.00 0.00 +0.102 A ATOM 36 C LIG 1 3.803 5.562 -0.389 0.00 0.00 +0.155 A ATOM 37 CL LIG 1 4.818 6.951 -0.526 0.00 0.00 -0.060 Cl ATOM 38 N LIG 1 2.507 5.872 -0.213 0.00 0.00 -0.222 NA ATOM 39 C LIG 1 1.699 4.818 -0.098 0.00 0.00 +0.225 A ATOM 40 N LIG 1 2.068 3.531 -0.124 0.00 0.00 -0.219 NA BRANCH 35 41 ATOM 41 N LIG 1 5.712 3.994 -0.578 0.00 0.00 -0.353 N ATOM 42 H LIG 1 6.239 4.755 -1.004 0.00 0.00 +0.143 HD ATOM 43 H LIG 1 5.875 3.101 -1.041 0.00 0.00 +0.143 HD ENDBRANCH 35 41 ENDBRANCH 32 34 ENDBRANCH 2 32 TORSDOF 9