REMARK Name = BDB012172 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.270 0.021 -0.469 0.00 0.00 +0.080 C ATOM 2 C LIG 1 2.069 1.480 -0.880 0.00 0.00 +0.032 C ATOM 3 C LIG 1 1.093 1.586 -2.046 0.00 0.00 +0.108 C ATOM 4 N LIG 1 -0.165 0.889 -1.787 0.00 0.00 -0.301 N ATOM 5 C LIG 1 -1.297 1.365 -2.457 0.00 0.00 +0.216 C ATOM 6 O LIG 1 -1.274 2.395 -3.131 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 -0.055 -0.486 -1.296 0.00 0.00 +0.108 C ATOM 8 C LIG 1 0.917 -0.609 -0.129 0.00 0.00 +0.032 C ENDROOT BRANCH 1 11 ATOM 9 C LIG 1 5.090 -0.352 1.636 0.00 0.00 +0.248 A ATOM 10 O LIG 1 4.524 -0.346 0.386 0.00 0.00 -0.420 OA ATOM 11 C LIG 1 3.213 -0.074 0.677 0.00 0.00 +0.221 A ATOM 12 N LIG 1 2.994 0.073 1.966 0.00 0.00 -0.112 NA ATOM 13 N LIG 1 4.211 -0.110 2.588 0.00 0.00 -0.107 NA BRANCH 9 17 ATOM 14 C LIG 1 9.287 -1.119 1.965 0.00 0.00 +0.052 A ATOM 15 C LIG 1 8.516 -0.884 3.106 0.00 0.00 +0.019 A ATOM 16 C LIG 1 7.144 -0.634 2.986 0.00 0.00 +0.014 A ATOM 17 C LIG 1 6.521 -0.615 1.727 0.00 0.00 +0.039 A ATOM 18 C LIG 1 7.307 -0.853 0.589 0.00 0.00 +0.014 A ATOM 19 C LIG 1 8.680 -1.103 0.706 0.00 0.00 +0.019 A BRANCH 14 21 ATOM 20 N LIG 1 11.831 -1.585 2.177 0.00 0.00 -0.191 NA ATOM 21 C LIG 1 10.693 -1.376 2.084 0.00 0.00 +0.099 C ENDBRANCH 14 21 ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 5 22 ATOM 22 C LIG 1 -2.577 0.556 -2.302 0.00 0.00 +0.096 C BRANCH 22 23 ATOM 23 C LIG 1 -3.767 1.215 -3.006 0.00 0.00 +0.017 C BRANCH 23 24 ATOM 24 C LIG 1 -5.036 0.367 -2.926 0.00 0.00 +0.075 C BRANCH 24 25 ATOM 25 C LIG 1 -5.553 0.261 -1.511 0.00 0.00 +0.110 A ATOM 26 N LIG 1 -6.189 1.368 -1.019 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -6.313 2.195 -1.586 0.00 0.00 +0.170 HD ATOM 28 C LIG 1 -6.702 1.437 0.251 0.00 0.00 +0.259 A ATOM 29 O LIG 1 -7.277 2.435 0.668 0.00 0.00 -0.267 OA ATOM 30 C LIG 1 -6.517 0.232 1.076 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -5.850 -0.850 0.494 0.00 0.00 +0.078 A ATOM 32 C LIG 1 -5.661 -2.005 1.256 0.00 0.00 +0.028 A ATOM 33 C LIG 1 -6.130 -2.074 2.572 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -6.794 -0.985 3.139 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -6.990 0.175 2.391 0.00 0.00 +0.015 A ATOM 36 N LIG 1 -5.362 -0.818 -0.824 0.00 0.00 -0.234 NA ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 5 22 TORSDOF 7