REMARK Name = BDB063420 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.937 0.045 -2.786 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.990 -0.029 -1.394 0.00 0.00 +0.024 A ATOM 3 C LIG 1 3.183 -0.343 -0.727 0.00 0.00 +0.013 A ATOM 4 C LIG 1 4.367 -0.589 -1.432 0.00 0.00 +0.017 A ATOM 5 C LIG 1 4.326 -0.504 -2.828 0.00 0.00 +0.013 A ATOM 6 C LIG 1 3.129 -0.190 -3.489 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 5.590 -0.914 -0.688 0.00 0.00 +0.139 A ATOM 8 N LIG 1 6.760 -1.356 -1.260 0.00 0.00 -0.338 N ATOM 9 H LIG 1 6.908 -1.513 -2.244 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 7.693 -1.557 -0.275 0.00 0.00 +0.067 A ATOM 11 C LIG 1 7.023 -1.248 0.905 0.00 0.00 +0.102 A ATOM 12 C LIG 1 7.721 -1.361 2.121 0.00 0.00 +0.064 A ATOM 13 C LIG 1 9.066 -1.776 2.103 0.00 0.00 +0.015 A ATOM 14 C LIG 1 9.703 -2.077 0.898 0.00 0.00 +0.003 A ATOM 15 C LIG 1 9.026 -1.976 -0.322 0.00 0.00 +0.028 A ATOM 16 N LIG 1 5.739 -0.840 0.622 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 7.052 -1.065 3.402 0.00 0.00 +0.244 C ATOM 18 O LIG 1 5.949 -1.500 3.696 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 7.757 -0.275 4.273 0.00 0.00 -0.325 N ATOM 20 H LIG 1 8.516 0.305 3.946 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 7.235 0.047 5.078 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 N LIG 1 0.790 0.379 -3.509 0.00 0.00 -0.284 N ATOM 23 H LIG 1 0.827 0.272 -4.512 0.00 0.00 +0.155 HD BRANCH 22 26 ATOM 24 C LIG 1 -2.121 1.348 -1.595 0.00 0.00 +0.131 A ATOM 25 N LIG 1 -0.852 0.986 -1.880 0.00 0.00 -0.199 NA ATOM 26 C LIG 1 -0.503 0.757 -3.154 0.00 0.00 +0.221 A ATOM 27 N LIG 1 -1.350 0.888 -4.184 0.00 0.00 -0.223 NA ATOM 28 C LIG 1 -2.602 1.272 -3.892 0.00 0.00 +0.118 A ATOM 29 C LIG 1 -3.039 1.516 -2.615 0.00 0.00 +0.064 A BRANCH 24 31 ATOM 30 C LIG 1 -1.347 1.897 0.610 0.00 0.00 +0.138 C ATOM 31 N LIG 1 -2.495 1.602 -0.251 0.00 0.00 -0.272 N BRANCH 31 32 ATOM 32 C LIG 1 -3.686 1.333 0.362 0.00 0.00 +0.148 A ATOM 33 N LIG 1 -4.093 1.858 1.518 0.00 0.00 -0.156 NA ATOM 34 N LIG 1 -5.294 1.307 1.767 0.00 0.00 -0.269 N ATOM 35 C LIG 1 -5.960 1.720 2.980 0.00 0.00 +0.172 C ATOM 36 C LIG 1 -5.709 0.423 0.795 0.00 0.00 +0.046 A ATOM 37 C LIG 1 -4.656 0.414 -0.108 0.00 0.00 +0.069 A BRANCH 36 38 ATOM 38 C LIG 1 -7.008 -0.375 0.775 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -7.232 -0.997 -0.626 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -8.236 0.508 1.065 0.00 0.00 +0.017 C ATOM 41 C LIG 1 -6.937 -1.533 1.786 0.00 0.00 +0.017 C ENDBRANCH 36 38 ENDBRANCH 31 32 ENDBRANCH 24 31 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 7