REMARK Name = BDB053429 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.976 -0.042 -1.198 0.00 0.00 +0.190 C ATOM 2 N LIG 1 -1.413 1.124 -0.794 0.00 0.00 -0.242 N ATOM 3 C LIG 1 -2.038 2.417 -0.656 0.00 0.00 +0.141 C ATOM 4 C LIG 1 -0.076 0.919 -0.605 0.00 0.00 +0.271 C ATOM 5 O LIG 1 0.769 1.716 -0.248 0.00 0.00 -0.268 OA ATOM 6 C LIG 1 0.081 -0.524 -0.965 0.00 0.00 +0.130 C ATOM 7 C LIG 1 1.197 -1.264 -0.938 0.00 0.00 +0.041 C ATOM 8 N LIG 1 -1.148 -1.036 -1.332 0.00 0.00 -0.213 NA ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 2.543 -0.826 -0.562 0.00 0.00 -0.019 A ATOM 10 C LIG 1 3.182 -1.450 0.519 0.00 0.00 +0.057 A ATOM 11 C LIG 1 4.463 -1.046 0.835 0.00 0.00 +0.167 A ATOM 12 O LIG 1 5.223 -1.539 1.850 0.00 0.00 -0.453 OA ATOM 13 C LIG 1 6.420 -0.749 1.699 0.00 0.00 +0.466 C ATOM 14 O LIG 1 6.365 0.175 0.593 0.00 0.00 -0.453 OA ATOM 15 C LIG 1 5.114 -0.070 0.118 0.00 0.00 +0.166 A ATOM 16 C LIG 1 4.522 0.556 -0.956 0.00 0.00 +0.050 A ATOM 17 C LIG 1 3.223 0.167 -1.300 0.00 0.00 +0.012 A ENDBRANCH 7 9 BRANCH 1 18 ATOM 18 N LIG 1 -3.309 -0.159 -1.480 0.00 0.00 -0.317 N ATOM 19 H LIG 1 -3.368 -0.859 -2.221 0.00 0.00 +0.149 HD BRANCH 18 20 ATOM 20 C LIG 1 -4.200 -0.659 -0.425 0.00 0.00 +0.104 C BRANCH 20 22 ATOM 21 C LIG 1 -5.483 -0.099 1.666 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -4.459 0.389 0.653 0.00 0.00 +0.015 C ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 4