REMARK Name = BDB043043 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.174 0.539 -0.184 0.00 0.00 +0.126 A ATOM 2 N LIG 1 0.539 1.776 0.121 0.00 0.00 -0.200 N ATOM 3 C LIG 1 -0.860 1.862 0.178 0.00 0.00 +0.163 A ATOM 4 C LIG 1 -1.145 3.170 0.486 0.00 0.00 +0.020 A ATOM 5 C LIG 1 0.085 3.812 0.624 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -1.675 0.793 -0.047 0.00 0.00 -0.213 NA ATOM 7 C LIG 1 -1.109 -0.351 -0.336 0.00 0.00 +0.124 A ATOM 8 N LIG 1 1.113 2.993 0.401 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 0.380 -0.523 -0.415 0.00 0.00 +0.087 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.548 3.777 0.690 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -3.585 3.462 -0.421 0.00 0.00 +0.008 C ATOM 12 C LIG 1 -4.120 4.895 -0.222 0.00 0.00 +0.001 C ATOM 13 C LIG 1 -2.711 5.266 0.284 0.00 0.00 +0.008 C ENDBRANCH 4 10 BRANCH 1 14 ATOM 14 N LIG 1 2.563 0.425 -0.252 0.00 0.00 -0.323 N ATOM 15 H LIG 1 2.932 -0.526 -0.252 0.00 0.00 +0.148 HD BRANCH 14 16 ATOM 16 C LIG 1 3.542 1.360 0.294 0.00 0.00 +0.160 C BRANCH 16 22 ATOM 17 C LIG 1 6.708 -3.262 0.297 0.00 0.00 +0.047 C ATOM 18 C LIG 1 7.299 -1.878 0.350 0.00 0.00 -0.008 A ATOM 19 C LIG 1 6.481 -0.694 0.350 0.00 0.00 +0.141 A ATOM 20 N LIG 1 7.120 0.540 0.402 0.00 0.00 -0.306 N ATOM 21 C LIG 1 6.140 1.500 0.393 0.00 0.00 +0.117 A ATOM 22 C LIG 1 4.944 0.815 0.332 0.00 0.00 +0.077 A ATOM 23 C LIG 1 8.500 0.693 0.454 0.00 0.00 +0.093 A ATOM 24 C LIG 1 9.275 -0.403 0.454 0.00 0.00 +0.018 A ATOM 25 N LIG 1 5.171 -0.551 0.307 0.00 0.00 -0.231 NA ATOM 26 C LIG 1 8.644 -1.713 0.401 0.00 0.00 +0.008 A ENDBRANCH 16 22 ENDBRANCH 14 16 ENDBRANCH 1 14 BRANCH 7 27 ATOM 27 N LIG 1 -1.898 -1.458 -0.580 0.00 0.00 -0.329 N ATOM 28 H LIG 1 -1.454 -2.222 -1.077 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.333 -1.342 -0.789 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -3.985 -2.733 -0.861 0.00 0.00 +0.037 C ATOM 31 C LIG 1 -5.460 -2.615 -1.290 0.00 0.00 +0.133 C ATOM 32 C LIG 1 -6.349 -2.088 -0.146 0.00 0.00 +0.112 C ATOM 33 N LIG 1 -6.232 -2.920 1.060 0.00 0.00 -0.314 NA ATOM 34 H LIG 1 -6.484 -3.877 0.799 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 -4.845 -2.943 1.538 0.00 0.00 +0.081 C ATOM 36 C LIG 1 -3.890 -3.495 0.477 0.00 0.00 +0.023 C BRANCH 31 37 ATOM 37 O LIG 1 -5.915 -3.919 -1.683 0.00 0.00 -0.390 OA ATOM 38 H LIG 1 -6.858 -3.843 -1.909 0.00 0.00 +0.210 HD ENDBRANCH 31 37 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 7 27 TORSDOF 8