REMARK Name = BDB011363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.784 -1.236 -0.171 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.101 -0.048 0.134 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.216 -0.371 0.284 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.494 0.312 0.625 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.406 -0.868 0.649 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.743 -2.088 0.381 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -2.160 -3.232 0.443 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.375 -1.720 0.139 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.861 -2.281 -0.167 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.767 -0.782 0.911 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -4.732 -1.663 0.126 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -4.372 -2.252 -0.891 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -6.058 -1.669 0.575 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -7.015 -2.525 -0.106 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -6.521 -0.760 1.510 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -5.696 0.122 2.085 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -6.275 1.274 3.225 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -4.287 0.097 1.786 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 1 22 ATOM 19 C LIG 1 5.879 -1.565 -0.995 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.525 -1.335 0.275 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 4.205 -1.244 0.535 0.00 0.00 +0.228 A ATOM 22 C LIG 1 3.219 -1.337 -0.432 0.00 0.00 +0.078 A ATOM 23 C LIG 1 3.699 -1.572 -1.701 0.00 0.00 +0.129 A ATOM 24 N LIG 1 5.010 -1.679 -2.006 0.00 0.00 -0.222 NA BRANCH 19 26 ATOM 25 C LIG 1 8.120 -0.862 -0.585 0.00 0.00 +0.128 C ATOM 26 N LIG 1 7.215 -1.695 -1.342 0.00 0.00 -0.316 N ATOM 27 H LIG 1 7.254 -1.581 -2.349 0.00 0.00 +0.149 HD ENDBRANCH 19 26 BRANCH 21 28 ATOM 28 O LIG 1 3.800 -1.001 1.838 0.00 0.00 -0.479 OA ATOM 29 C LIG 1 4.855 -1.123 2.786 0.00 0.00 +0.279 C ENDBRANCH 21 28 ENDBRANCH 1 22 BRANCH 4 30 ATOM 30 C LIG 1 -1.951 1.346 -0.391 0.00 0.00 -0.021 A ATOM 31 C LIG 1 -2.118 1.018 -1.749 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -2.563 1.972 -2.668 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -2.853 3.271 -2.244 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -2.700 3.608 -0.896 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -2.256 2.653 0.024 0.00 0.00 +0.007 A BRANCH 33 36 ATOM 36 C LIG 1 -3.309 4.252 -3.184 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -3.674 5.054 -3.939 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 4 30 BRANCH 2 38 ATOM 38 C LIG 1 1.727 1.270 0.262 0.00 0.00 +0.081 C ATOM 39 C LIG 1 1.547 2.118 -0.995 0.00 0.00 +0.030 C ATOM 40 C LIG 1 1.319 2.019 1.530 0.00 0.00 +0.030 C ENDBRANCH 2 38 TORSDOF 7