REMARK Name = BDB012995 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.786 0.629 -1.935 0.00 0.00 -0.025 A ATOM 2 C LIG 1 0.417 0.762 -1.226 0.00 0.00 +0.018 A ATOM 3 C LIG 1 1.245 -0.349 -1.024 0.00 0.00 +0.037 A ATOM 4 C LIG 1 0.862 -1.607 -1.506 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -0.337 -1.746 -2.204 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.155 -0.635 -2.418 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 2.514 -0.170 -0.265 0.00 0.00 +0.250 C ATOM 8 N LIG 1 3.590 -0.840 -0.813 0.00 0.00 -0.252 N ATOM 9 H LIG 1 3.476 -1.299 -1.704 0.00 0.00 +0.158 HD ATOM 10 O LIG 1 2.496 0.556 0.719 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 4.834 -0.829 -0.230 0.00 0.00 +0.201 A ATOM 12 N LIG 1 5.898 -1.442 -0.846 0.00 0.00 -0.326 N ATOM 13 H LIG 1 5.871 -1.917 -1.733 0.00 0.00 +0.169 HD ATOM 14 C LIG 1 7.009 -1.291 -0.057 0.00 0.00 +0.067 A ATOM 15 C LIG 1 6.546 -0.573 1.038 0.00 0.00 +0.091 A ATOM 16 C LIG 1 7.439 -0.236 2.064 0.00 0.00 +0.030 A ATOM 17 C LIG 1 8.776 -0.638 1.949 0.00 0.00 +0.002 A ATOM 18 C LIG 1 9.213 -1.361 0.835 0.00 0.00 +0.002 A ATOM 19 C LIG 1 8.335 -1.706 -0.200 0.00 0.00 +0.028 A ATOM 20 N LIG 1 5.208 -0.302 0.912 0.00 0.00 -0.214 NA ENDBRANCH 8 11 ENDBRANCH 3 7 BRANCH 1 21 ATOM 21 C LIG 1 -1.696 1.822 -2.134 0.00 0.00 +0.182 C BRANCH 21 24 ATOM 22 C LIG 1 -4.220 1.479 0.410 0.00 0.00 +0.093 A ATOM 23 N LIG 1 -3.545 1.285 -0.680 0.00 0.00 -0.168 NA ATOM 24 N LIG 1 -2.475 2.118 -0.938 0.00 0.00 -0.225 N ATOM 25 C LIG 1 -2.086 3.161 -0.111 0.00 0.00 +0.268 A ATOM 26 O LIG 1 -1.158 3.934 -0.334 0.00 0.00 -0.266 OA ATOM 27 C LIG 1 -2.870 3.327 1.129 0.00 0.00 +0.074 A ATOM 28 C LIG 1 -3.900 2.526 1.405 0.00 0.00 +0.035 A BRANCH 22 32 ATOM 29 C LIG 1 -7.420 -1.199 1.129 0.00 0.00 +0.116 A ATOM 30 N LIG 1 -6.341 -1.622 0.453 0.00 0.00 -0.240 NA ATOM 31 C LIG 1 -5.345 -0.723 0.247 0.00 0.00 +0.123 A ATOM 32 C LIG 1 -5.371 0.590 0.704 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -6.506 1.005 1.399 0.00 0.00 +0.015 A ATOM 34 C LIG 1 -7.541 0.095 1.618 0.00 0.00 +0.044 A BRANCH 29 35 ATOM 35 N LIG 1 -8.421 -2.138 1.353 0.00 0.00 -0.343 N ATOM 36 H LIG 1 -9.323 -1.811 1.028 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 -8.137 -2.991 0.878 0.00 0.00 +0.144 HD ENDBRANCH 29 35 ENDBRANCH 22 32 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 6