REMARK Name = BDB024541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.448 0.601 -1.595 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.655 -0.158 -0.717 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.219 -1.365 -0.064 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.278 -0.989 0.989 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.190 -2.271 0.632 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.915 -2.352 -0.174 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.368 -0.959 -0.288 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.989 -0.691 -0.162 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.036 -1.563 0.101 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.138 -0.844 0.130 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.858 0.489 -0.119 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.506 0.604 -0.306 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.356 1.679 -0.574 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.725 1.404 -0.703 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.248 0.110 -0.571 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.092 1.590 -2.227 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.840 1.569 -0.179 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.653 2.608 0.943 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.273 3.974 0.610 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.483 3.833 -0.316 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.109 3.195 -1.655 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.931 2.221 -1.565 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.650 4.684 1.889 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.763 4.784 2.375 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.577 5.207 2.512 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.944 5.621 3.321 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.552 0.808 -2.632 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.710 0.090 -1.728 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.513 -1.378 0.394 0.00 0.00 +0.079 C BRANCH 29 30 ATOM 30 C LIG 1 -2.514 -2.884 0.668 0.00 0.00 +0.043 C BRANCH 30 31 ATOM 31 C LIG 1 -3.910 -3.389 0.948 0.00 0.00 -0.047 A ATOM 32 C LIG 1 -4.400 -3.431 2.260 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -5.699 -3.874 2.516 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.520 -4.274 1.463 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.043 -4.232 0.154 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.745 -3.790 -0.104 0.00 0.00 +0.003 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7