REMARK Name = BDB032169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.106 -1.799 0.026 0.00 0.00 +0.126 A ATOM 2 C LIG 1 3.811 -0.615 0.148 0.00 0.00 +0.024 A ATOM 3 C LIG 1 5.182 -0.277 -0.333 0.00 0.00 +0.148 C ATOM 4 N LIG 1 5.310 1.131 0.029 0.00 0.00 -0.281 N ATOM 5 C LIG 1 4.228 1.575 0.774 0.00 0.00 +0.248 C ATOM 6 O LIG 1 4.078 2.658 1.306 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 3.257 0.477 0.811 0.00 0.00 +0.045 A ATOM 8 C LIG 1 2.001 0.449 1.383 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.270 -0.742 1.281 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.825 -1.853 0.593 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 6.573 1.857 -0.007 0.00 0.00 +0.163 C ATOM 12 C LIG 1 7.564 1.353 1.056 0.00 0.00 +0.240 C ATOM 13 O LIG 1 7.268 0.605 1.986 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 8.859 1.796 0.909 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.507 1.448 1.603 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 9.439 2.216 -0.260 0.00 0.00 +0.219 C ATOM 17 O LIG 1 10.659 2.252 -0.385 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 8.501 2.649 -1.363 0.00 0.00 +0.098 C ATOM 19 C LIG 1 7.241 1.798 -1.377 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 3.052 -4.046 -0.736 0.00 0.00 +0.277 C ATOM 21 O LIG 1 3.737 -2.802 -0.647 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 -0.120 -0.832 1.860 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 -1.042 -0.512 0.816 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 -2.345 -0.624 1.184 0.00 0.00 +0.405 C ATOM 25 N LIG 1 -3.115 -0.276 0.112 0.00 0.00 -0.251 N ATOM 26 H LIG 1 -2.577 -0.007 -0.700 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 -2.709 -0.981 2.293 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 -4.516 -0.242 0.015 0.00 0.00 +0.036 A ATOM 29 C LIG 1 -5.066 0.160 -1.205 0.00 0.00 +0.024 A ATOM 30 C LIG 1 -6.454 0.218 -1.377 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -7.335 -0.116 -0.338 0.00 0.00 -0.041 A ATOM 32 C LIG 1 -6.764 -0.523 0.877 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -5.375 -0.585 1.056 0.00 0.00 +0.024 A BRANCH 31 34 ATOM 34 C LIG 1 -8.843 -0.064 -0.528 0.00 0.00 -0.007 C ATOM 35 C LIG 1 -9.471 1.243 -0.981 0.00 0.00 +0.012 C ATOM 36 C LIG 1 -9.664 0.781 0.431 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -9.460 -1.346 -1.031 0.00 0.00 +0.016 C ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 7