REMARK Name = BDB025020 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.356 0.126 -0.643 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.272 -0.009 -1.528 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.565 0.192 -2.964 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.381 -0.978 -3.538 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.330 0.389 -3.857 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.276 1.205 -3.141 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.892 0.448 -1.903 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.551 0.337 -1.480 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.579 0.846 -2.064 0.00 0.00 -0.230 NA ATOM 10 C LIG 1 -1.586 0.530 -1.271 0.00 0.00 +0.131 A ATOM 11 N LIG 1 -1.147 -0.286 -0.239 0.00 0.00 -0.323 N ATOM 12 C LIG 1 0.231 -0.368 -0.327 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.214 -0.985 0.452 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.545 -0.859 0.034 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.904 -0.141 -1.114 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.523 0.238 -1.012 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.982 -0.934 0.769 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.876 -2.473 0.760 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.303 -3.111 2.091 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.351 -2.262 2.814 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.823 -0.869 3.160 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.779 -0.346 2.170 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.821 -4.509 1.843 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.985 -4.871 1.842 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.828 -5.381 1.585 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.286 -6.236 1.440 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.101 0.396 1.569 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.008 0.196 0.674 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.998 0.965 -1.521 0.00 0.00 +0.197 C BRANCH 29 30 ATOM 30 N LIG 1 -3.603 1.696 -0.412 0.00 0.00 -0.323 N ATOM 31 C LIG 1 -3.139 2.871 0.123 0.00 0.00 +0.160 A ATOM 32 C LIG 1 -4.007 3.234 1.153 0.00 0.00 +0.108 A ATOM 33 N LIG 1 -3.808 4.349 1.906 0.00 0.00 -0.250 NA ATOM 34 C LIG 1 -2.704 5.040 1.536 0.00 0.00 +0.131 A ATOM 35 C LIG 1 -1.860 4.662 0.501 0.00 0.00 +0.133 A ATOM 36 C LIG 1 -5.035 2.268 1.207 0.00 0.00 +0.049 A ATOM 37 N LIG 1 -2.040 3.556 -0.257 0.00 0.00 -0.234 NA ATOM 38 C LIG 1 -4.779 1.340 0.217 0.00 0.00 +0.090 A ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6