REMARK Name = BDB024244 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.254 -1.421 -0.558 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.858 -2.813 -0.465 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.330 -3.785 0.402 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.916 -5.049 0.493 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -4.036 -5.357 -0.276 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -4.570 -4.405 -1.141 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -3.986 -3.140 -1.235 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.014 -0.493 -0.251 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.543 0.100 0.382 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.733 -1.460 -0.920 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.271 -2.249 -1.740 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.044 0.547 -0.257 0.00 0.00 +0.048 A ATOM 13 C LIG 1 3.032 1.155 0.492 0.00 0.00 +0.136 A ATOM 14 N LIG 1 1.715 0.813 0.492 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.344 -0.204 -0.306 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.252 -0.884 -1.096 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.600 -0.502 -1.065 0.00 0.00 +0.028 A BRANCH 12 22 ATOM 18 C LIG 1 8.916 3.041 -0.059 0.00 0.00 +0.105 C ATOM 19 N LIG 1 8.259 1.738 -0.087 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 7.408 1.522 1.102 0.00 0.00 +0.103 C ATOM 21 C LIG 1 5.893 1.757 0.898 0.00 0.00 +0.120 C ATOM 22 N LIG 1 5.368 0.942 -0.211 0.00 0.00 -0.326 N ATOM 23 C LIG 1 6.339 0.542 -1.244 0.00 0.00 +0.120 C ATOM 24 C LIG 1 7.491 1.569 -1.339 0.00 0.00 +0.103 C ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.450 -0.636 0.699 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.115 -1.216 1.471 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.853 -0.291 0.977 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.465 0.708 -0.015 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -5.862 1.115 0.396 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -6.951 0.272 0.133 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -8.240 0.639 0.524 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -8.445 1.850 1.182 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 -10.033 2.304 1.665 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 -7.371 2.695 1.454 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -6.081 2.328 1.063 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8