REMARK Name = BDB025095 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.722 -1.205 0.589 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.844 -0.142 0.313 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.440 1.210 0.269 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.309 1.400 -0.985 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.428 2.366 0.321 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.281 2.033 1.250 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.615 0.800 0.712 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.212 0.662 0.672 0.00 0.00 +0.096 A ATOM 9 N LIG 1 0.247 1.549 1.073 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -0.910 0.985 0.801 0.00 0.00 +0.204 A ATOM 11 N LIG 1 -0.731 -0.291 0.295 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.635 -0.496 0.171 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.404 -1.557 -0.315 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.797 -1.416 -0.265 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.416 -0.271 0.255 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.944 -1.080 0.632 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.738 -1.307 -0.015 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -2.784 -1.538 1.095 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -3.818 -2.621 0.743 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.410 -2.413 -0.654 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.342 -2.234 -1.732 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.384 -1.098 -1.389 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.249 -4.025 0.888 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.061 -4.302 0.871 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.205 -4.971 1.030 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.118 -4.629 1.034 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 5.994 -3.453 1.219 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.107 -2.387 0.879 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.147 1.532 1.009 0.00 0.00 -0.274 N ATOM 30 C LIG 1 -2.183 2.429 2.182 0.00 0.00 +0.138 C BRANCH 29 31 ATOM 31 C LIG 1 -2.827 2.181 -0.072 0.00 0.00 +0.036 A ATOM 32 C LIG 1 -4.226 2.306 -0.030 0.00 0.00 +0.025 A ATOM 33 C LIG 1 -4.929 2.914 -1.075 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -4.241 3.408 -2.187 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -2.851 3.290 -2.247 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -2.151 2.681 -1.199 0.00 0.00 +0.025 A BRANCH 34 37 ATOM 37 C LIG 1 -4.960 4.028 -3.261 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -5.549 4.525 -4.129 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7