REMARK Name = BDB022287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.154 -2.349 0.306 0.00 0.00 +0.042 A ATOM 2 C LIG 1 1.497 -1.738 0.102 0.00 0.00 +0.021 A ATOM 3 C LIG 1 2.651 -2.543 0.164 0.00 0.00 +0.054 A ATOM 4 C LIG 1 3.905 -1.957 -0.072 0.00 0.00 +0.028 A ATOM 5 C LIG 1 4.028 -0.589 -0.330 0.00 0.00 +0.025 A ATOM 6 C LIG 1 2.907 0.235 -0.354 0.00 0.00 +0.032 A ATOM 7 N LIG 1 2.532 -3.926 0.492 0.00 0.00 -0.311 N ATOM 8 C LIG 1 3.716 -4.766 0.574 0.00 0.00 +0.152 C ATOM 9 C LIG 1 1.309 -4.494 0.803 0.00 0.00 +0.253 A ATOM 10 O LIG 1 1.149 -5.662 1.154 0.00 0.00 -0.268 OA ATOM 11 C LIG 1 1.654 -0.353 -0.127 0.00 0.00 +0.035 A ATOM 12 C LIG 1 0.115 -3.636 0.676 0.00 0.00 +0.093 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -0.968 -1.559 0.103 0.00 0.00 -0.334 N ATOM 14 H LIG 1 -0.840 -0.767 -0.524 0.00 0.00 +0.147 HD BRANCH 13 16 ATOM 15 C LIG 1 -2.724 -2.757 -1.144 0.00 0.00 +0.036 C ATOM 16 C LIG 1 -2.385 -1.960 0.116 0.00 0.00 +0.135 C BRANCH 16 17 ATOM 17 C LIG 1 -3.283 -0.719 0.165 0.00 0.00 +0.149 A ATOM 18 N LIG 1 -2.890 0.372 -0.532 0.00 0.00 -0.238 NA ATOM 19 C LIG 1 -3.719 1.439 -0.488 0.00 0.00 +0.118 A ATOM 20 C LIG 1 -4.922 1.497 0.199 0.00 0.00 -0.008 A ATOM 21 C LIG 1 -5.209 0.312 0.860 0.00 0.00 +0.118 A ATOM 22 N LIG 1 -4.432 -0.795 0.861 0.00 0.00 -0.238 NA BRANCH 20 23 ATOM 23 C LIG 1 -5.788 2.735 0.195 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -6.571 3.145 1.419 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -7.295 2.636 0.205 0.00 0.00 +0.009 C ENDBRANCH 20 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 6 26 ATOM 26 N LIG 1 2.979 1.629 -0.539 0.00 0.00 -0.313 N ATOM 27 H LIG 1 2.123 2.020 -0.930 0.00 0.00 +0.152 HD BRANCH 26 28 ATOM 28 C LIG 1 4.010 2.562 -0.281 0.00 0.00 +0.053 A ATOM 29 C LIG 1 4.130 3.743 -1.037 0.00 0.00 +0.110 A ATOM 30 C LIG 1 5.195 4.593 -0.761 0.00 0.00 +0.148 A ATOM 31 CL LIG 1 5.465 6.071 -1.604 0.00 0.00 -0.061 Cl ATOM 32 N LIG 1 6.130 4.363 0.188 0.00 0.00 -0.242 NA ATOM 33 C LIG 1 5.998 3.229 0.901 0.00 0.00 +0.114 A ATOM 34 C LIG 1 4.977 2.315 0.702 0.00 0.00 +0.044 A BRANCH 29 35 ATOM 35 C LIG 1 3.186 4.064 -2.059 0.00 0.00 +0.104 C ATOM 36 N LIG 1 2.380 4.289 -2.863 0.00 0.00 -0.191 NA ENDBRANCH 29 35 ENDBRANCH 26 28 ENDBRANCH 6 26 TORSDOF 7