REMARK Name = BDB017363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.359 1.984 1.861 0.00 0.00 +0.044 A ATOM 2 C LIG 1 -1.756 1.965 1.647 0.00 0.00 +0.042 A ATOM 3 C LIG 1 -2.404 3.208 1.752 0.00 0.00 +0.143 A ATOM 4 N LIG 1 -3.769 3.304 1.530 0.00 0.00 -0.307 N ATOM 5 H LIG 1 -4.185 4.217 1.631 0.00 0.00 +0.170 HD ATOM 6 C LIG 1 -4.569 2.264 1.182 0.00 0.00 +0.255 A ATOM 7 C LIG 1 -3.904 0.944 1.017 0.00 0.00 +0.035 A ATOM 8 C LIG 1 -4.807 -0.163 0.530 0.00 0.00 +0.125 C ATOM 9 N LIG 1 -4.075 -1.351 0.041 0.00 0.00 -0.294 NA ATOM 10 C LIG 1 -3.035 -1.722 1.002 0.00 0.00 +0.090 C ATOM 11 C LIG 1 -1.992 -0.599 1.152 0.00 0.00 +0.052 C ATOM 12 O LIG 1 -5.777 2.406 1.026 0.00 0.00 -0.268 OA ATOM 13 N LIG 1 -1.811 4.380 2.071 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 -0.489 4.347 2.294 0.00 0.00 +0.115 A ATOM 15 C LIG 1 -2.588 0.783 1.277 0.00 0.00 -0.024 A ATOM 16 C LIG 1 0.264 3.193 2.215 0.00 0.00 +0.043 A ENDROOT BRANCH 1 17 ATOM 17 N LIG 1 0.417 0.792 1.884 0.00 0.00 -0.314 N ATOM 18 H LIG 1 0.337 0.370 2.808 0.00 0.00 +0.152 HD BRANCH 17 22 ATOM 19 C LIG 1 4.295 0.146 0.277 0.00 0.00 +0.034 A ATOM 20 C LIG 1 3.831 -0.595 1.369 0.00 0.00 +0.025 A ATOM 21 C LIG 1 2.556 -0.368 1.900 0.00 0.00 +0.025 A ATOM 22 C LIG 1 1.725 0.625 1.370 0.00 0.00 +0.031 A ATOM 23 C LIG 1 2.178 1.333 0.252 0.00 0.00 +0.025 A ATOM 24 C LIG 1 3.455 1.109 -0.280 0.00 0.00 +0.025 A BRANCH 19 27 ATOM 25 O LIG 1 5.765 1.228 -2.079 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 6.234 0.422 -1.284 0.00 0.00 +0.248 C ATOM 27 N LIG 1 5.594 -0.138 -0.192 0.00 0.00 -0.282 N ATOM 28 H LIG 1 6.082 -0.880 0.291 0.00 0.00 +0.155 HD BRANCH 26 29 ATOM 29 C LIG 1 7.627 -0.059 -1.506 0.00 0.00 +0.037 A ATOM 30 C LIG 1 8.495 -0.318 -0.437 0.00 0.00 +0.013 A ATOM 31 C LIG 1 9.794 -0.767 -0.689 0.00 0.00 +0.001 A ATOM 32 C LIG 1 10.228 -0.950 -2.002 0.00 0.00 +0.000 A ATOM 33 C LIG 1 9.372 -0.676 -3.068 0.00 0.00 +0.001 A ATOM 34 C LIG 1 8.074 -0.225 -2.822 0.00 0.00 +0.013 A ENDBRANCH 26 29 ENDBRANCH 19 27 ENDBRANCH 17 22 ENDBRANCH 1 17 BRANCH 9 35 ATOM 35 C LIG 1 -4.989 -2.480 -0.200 0.00 0.00 +0.120 C BRANCH 35 36 ATOM 36 C LIG 1 -5.936 -2.251 -1.359 0.00 0.00 -0.033 A ATOM 37 C LIG 1 -5.437 -2.024 -2.650 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -6.306 -1.820 -3.722 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.684 -1.843 -3.516 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -8.193 -2.068 -2.238 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -7.324 -2.272 -1.164 0.00 0.00 +0.005 A ENDBRANCH 35 36 ENDBRANCH 9 35 TORSDOF 6