REMARK Name = BDB039337 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.554 -0.385 -1.583 0.00 0.00 +0.001 A ATOM 2 C LIG 1 1.166 -0.151 -0.332 0.00 0.00 +0.016 A ATOM 3 C LIG 1 2.548 -0.199 -0.231 0.00 0.00 -0.017 A ATOM 4 C LIG 1 3.426 0.033 0.955 0.00 0.00 +0.144 C ATOM 5 N LIG 1 4.756 -0.236 0.424 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.736 -0.450 -0.948 0.00 0.00 +0.248 C ATOM 7 O LIG 1 5.684 -0.600 -1.695 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.327 -0.469 -1.352 0.00 0.00 +0.042 A ATOM 9 C LIG 1 2.781 -0.693 -2.599 0.00 0.00 +0.014 A ATOM 10 C LIG 1 1.388 -0.647 -2.705 0.00 0.00 +0.011 A ENDROOT BRANCH 1 17 ATOM 11 C LIG 1 -2.705 1.431 -5.227 0.00 0.00 +0.150 C ATOM 12 N LIG 1 -3.352 0.811 -4.095 0.00 0.00 -0.335 N ATOM 13 C LIG 1 -2.684 0.268 -3.026 0.00 0.00 +0.141 A ATOM 14 C LIG 1 -3.634 -0.224 -2.137 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.178 -0.835 -0.952 0.00 0.00 -0.021 A ATOM 16 C LIG 1 -1.780 -0.884 -0.784 0.00 0.00 +0.034 A ATOM 17 C LIG 1 -0.917 -0.346 -1.746 0.00 0.00 +0.074 A ATOM 18 C LIG 1 -4.909 0.044 -2.713 0.00 0.00 +0.029 A ATOM 19 N LIG 1 -1.345 0.232 -2.892 0.00 0.00 -0.229 NA ATOM 20 C LIG 1 -4.705 0.681 -3.919 0.00 0.00 +0.088 A BRANCH 15 21 ATOM 21 C LIG 1 -4.093 -1.442 0.088 0.00 0.00 +0.120 C BRANCH 21 22 ATOM 22 N LIG 1 -4.988 -0.462 0.717 0.00 0.00 -0.294 NA ATOM 23 C LIG 1 -6.078 -1.148 1.442 0.00 0.00 +0.113 C ATOM 24 C LIG 1 -6.700 -0.251 2.520 0.00 0.00 +0.175 C ATOM 25 O LIG 1 -5.767 0.085 3.556 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 -4.412 0.153 3.093 0.00 0.00 +0.175 C ATOM 27 C LIG 1 -4.293 0.497 1.599 0.00 0.00 +0.113 C ENDBRANCH 21 22 ENDBRANCH 15 21 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 5.987 0.084 1.135 0.00 0.00 +0.163 C ATOM 29 C LIG 1 6.193 1.600 1.298 0.00 0.00 +0.240 C ATOM 30 O LIG 1 5.525 2.459 0.727 0.00 0.00 -0.273 OA ATOM 31 N LIG 1 7.197 1.966 2.165 0.00 0.00 -0.255 N ATOM 32 H LIG 1 7.312 2.964 2.279 0.00 0.00 +0.158 HD ATOM 33 C LIG 1 7.648 1.217 3.222 0.00 0.00 +0.219 C ATOM 34 O LIG 1 8.232 1.741 4.166 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 7.401 -0.272 3.150 0.00 0.00 +0.098 C ATOM 36 C LIG 1 6.054 -0.574 2.510 0.00 0.00 +0.041 C ENDBRANCH 5 28 TORSDOF 4