REMARK Name = BDB024752 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.222 -1.531 0.828 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.603 -0.358 0.359 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.443 0.824 0.074 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.990 0.778 -1.358 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.719 2.129 0.392 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.447 2.241 -0.416 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.622 0.990 -0.312 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.241 1.055 -0.618 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.501 2.147 -0.991 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.740 1.725 -1.136 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.817 0.359 -0.917 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.442 -0.077 -0.552 0.00 0.00 +0.069 A ATOM 13 C LIG 1 0.963 -1.312 -0.175 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.334 -1.375 0.118 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.186 -0.260 0.061 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.667 -2.563 1.187 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.021 -0.461 -1.032 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.528 -0.955 0.337 0.00 0.00 +0.036 C ATOM 19 C LIG 1 -3.415 -2.210 0.239 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -4.175 -2.249 -1.093 0.00 0.00 +0.011 C ATOM 21 C LIG 1 -3.233 -2.290 -2.298 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.889 -1.600 -2.051 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.350 -2.279 1.399 0.00 0.00 +0.152 A ATOM 24 N LIG 1 -4.020 -2.820 2.611 0.00 0.00 -0.242 N ATOM 25 H LIG 1 -3.156 -3.241 2.928 0.00 0.00 +0.192 HD ATOM 26 N LIG 1 -5.060 -2.734 3.448 0.00 0.00 -0.047 NA ATOM 27 N LIG 1 -6.016 -2.135 2.753 0.00 0.00 -0.023 NA ATOM 28 N LIG 1 -5.590 -1.844 1.480 0.00 0.00 -0.113 NA ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 30 ATOM 29 C LIG 1 7.272 -2.579 1.335 0.00 0.00 +0.282 C ATOM 30 O LIG 1 6.587 -1.417 0.863 0.00 0.00 -0.453 OA ENDBRANCH 1 30 BRANCH 10 31 ATOM 31 C LIG 1 -1.899 2.619 -1.472 0.00 0.00 +0.109 C BRANCH 31 32 ATOM 32 C LIG 1 -2.888 2.782 -0.336 0.00 0.00 -0.040 A ATOM 33 C LIG 1 -4.254 2.530 -0.539 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -5.160 2.655 0.515 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.717 3.048 1.776 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.367 3.325 1.984 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.458 3.197 0.933 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 5