REMARK Name = BDB032188 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.412 1.649 0.369 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -4.204 0.576 0.004 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -5.540 0.570 -0.660 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -5.856 -0.855 -0.722 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -4.815 -1.643 -0.261 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -4.746 -2.856 -0.236 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -3.775 -0.731 0.225 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -2.560 -1.033 0.808 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -1.744 0.038 1.195 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -2.175 1.371 0.965 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -7.060 -1.408 -1.344 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -7.896 -0.361 -2.094 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -7.520 0.172 -3.137 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -9.038 0.082 -1.468 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -9.528 0.830 -1.939 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -9.397 -0.121 -0.161 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -10.267 0.567 0.366 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -8.620 -1.163 0.606 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.945 -2.149 -0.335 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -3.132 4.006 0.477 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -3.925 2.884 0.104 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 -0.392 -0.219 1.812 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 0.580 -0.121 0.767 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 1.862 -0.226 1.201 0.00 0.00 +0.405 C ATOM 25 N LIG 1 2.686 -0.125 0.117 0.00 0.00 -0.250 N ATOM 26 H LIG 1 2.196 -0.010 -0.759 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 2.179 -0.379 2.370 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 4.090 -0.164 0.100 0.00 0.00 +0.055 A ATOM 29 C LIG 1 4.731 -0.044 -1.134 0.00 0.00 +0.030 A ATOM 30 C LIG 1 6.132 -0.077 -1.221 0.00 0.00 -0.023 A ATOM 31 C LIG 1 6.786 0.041 -2.567 0.00 0.00 +0.046 C ATOM 32 C LIG 1 6.861 -0.197 -0.030 0.00 0.00 +0.074 A ATOM 33 N LIG 1 6.253 -0.331 1.177 0.00 0.00 -0.253 NA ATOM 34 C LIG 1 4.898 -0.311 1.218 0.00 0.00 +0.134 A BRANCH 32 35 ATOM 35 C LIG 1 8.332 -0.203 0.035 0.00 0.00 +0.001 A ATOM 36 C LIG 1 9.015 -1.312 0.562 0.00 0.00 +0.010 A ATOM 37 C LIG 1 10.411 -1.337 0.623 0.00 0.00 +0.001 A ATOM 38 C LIG 1 11.147 -0.247 0.166 0.00 0.00 +0.000 A ATOM 39 C LIG 1 10.489 0.871 -0.343 0.00 0.00 +0.001 A ATOM 40 C LIG 1 9.093 0.894 -0.402 0.00 0.00 +0.010 A ENDBRANCH 32 35 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 7