REMARK Name = BDB063427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.962 1.311 -0.404 0.00 0.00 +0.035 A ATOM 2 C LIG 1 -2.762 2.142 -1.201 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -4.157 1.982 -1.279 0.00 0.00 +0.053 A ATOM 4 CL LIG 1 -4.986 3.104 -2.308 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -4.807 0.970 -0.552 0.00 0.00 +0.036 A ATOM 6 C LIG 1 -3.999 0.143 0.246 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.608 0.310 0.318 0.00 0.00 +0.024 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -6.257 0.701 -0.552 0.00 0.00 +0.141 A ATOM 9 N LIG 1 -7.185 1.329 -1.351 0.00 0.00 -0.338 N ATOM 10 H LIG 1 -6.972 2.052 -2.023 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -8.431 0.824 -1.088 0.00 0.00 +0.067 A ATOM 12 C LIG 1 -8.216 -0.133 -0.104 0.00 0.00 +0.102 A ATOM 13 C LIG 1 -9.316 -0.854 0.400 0.00 0.00 +0.064 A ATOM 14 C LIG 1 -10.594 -0.573 -0.119 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -10.773 0.396 -1.109 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -9.690 1.119 -1.618 0.00 0.00 +0.028 A ATOM 17 N LIG 1 -6.870 -0.193 0.210 0.00 0.00 -0.227 NA BRANCH 13 18 ATOM 18 C LIG 1 -9.170 -1.889 1.450 0.00 0.00 +0.244 C ATOM 19 O LIG 1 -10.136 -2.514 1.874 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 -7.915 -2.124 1.930 0.00 0.00 -0.325 N ATOM 21 H LIG 1 -7.785 -2.824 2.646 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -7.113 -1.606 1.579 0.00 0.00 +0.145 HD ENDBRANCH 13 18 ENDBRANCH 5 8 BRANCH 1 23 ATOM 23 N LIG 1 -0.583 1.532 -0.375 0.00 0.00 -0.284 N ATOM 24 H LIG 1 -0.218 2.280 -0.946 0.00 0.00 +0.155 HD BRANCH 23 27 ATOM 25 C LIG 1 2.782 0.933 0.603 0.00 0.00 +0.130 A ATOM 26 N LIG 1 1.686 1.461 0.017 0.00 0.00 -0.199 NA ATOM 27 C LIG 1 0.483 0.926 0.286 0.00 0.00 +0.221 A ATOM 28 N LIG 1 0.305 -0.105 1.120 0.00 0.00 -0.223 NA ATOM 29 C LIG 1 1.400 -0.606 1.710 0.00 0.00 +0.118 A ATOM 30 C LIG 1 2.663 -0.120 1.491 0.00 0.00 +0.064 A BRANCH 25 31 ATOM 31 N LIG 1 4.068 1.491 0.356 0.00 0.00 -0.288 N ATOM 32 C LIG 1 4.040 2.600 -0.607 0.00 0.00 +0.137 C BRANCH 31 40 ATOM 33 C LIG 1 10.185 -1.340 0.247 0.00 0.00 +0.066 C ATOM 34 C LIG 1 8.747 -1.402 -0.109 0.00 0.00 +0.044 A ATOM 35 N LIG 1 8.187 -2.460 -0.787 0.00 0.00 -0.270 N ATOM 36 C LIG 1 8.870 -3.646 -1.254 0.00 0.00 +0.172 C ATOM 37 N LIG 1 6.865 -2.336 -1.025 0.00 0.00 -0.171 NA ATOM 38 C LIG 1 6.524 -1.157 -0.483 0.00 0.00 +0.095 A ATOM 39 C LIG 1 5.272 -0.522 -0.433 0.00 0.00 +0.053 A ATOM 40 C LIG 1 5.276 0.733 0.230 0.00 0.00 +0.037 A ATOM 41 C LIG 1 6.479 1.293 0.794 0.00 0.00 +0.024 A ATOM 42 C LIG 1 7.748 0.678 0.757 0.00 0.00 +0.013 A ATOM 43 C LIG 1 7.692 -0.547 0.101 0.00 0.00 +0.023 A ENDBRANCH 31 40 ENDBRANCH 25 31 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 6