REMARK Name = BDB019768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.223 2.064 0.633 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -0.892 1.253 0.901 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.836 -0.138 0.735 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.354 -0.738 0.313 0.00 0.00 +0.018 A ATOM 5 C LIG 1 1.483 0.046 0.034 0.00 0.00 -0.029 A ATOM 6 C LIG 1 1.405 1.439 0.197 0.00 0.00 +0.013 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 0.912 6.720 -1.089 0.00 0.00 +0.065 C ATOM 8 C LIG 1 0.490 5.776 -0.003 0.00 0.00 +0.039 A ATOM 9 N LIG 1 0.044 6.318 1.151 0.00 0.00 -0.260 NA ATOM 10 C LIG 1 -0.346 5.468 2.123 0.00 0.00 +0.111 A ATOM 11 C LIG 1 -0.309 4.089 2.002 0.00 0.00 +0.028 A ATOM 12 C LIG 1 0.158 3.525 0.811 0.00 0.00 -0.015 A ATOM 13 C LIG 1 0.561 4.399 -0.207 0.00 0.00 +0.031 A ENDBRANCH 1 12 BRANCH 3 14 ATOM 14 C LIG 1 -2.054 -0.934 1.050 0.00 0.00 +0.244 C ATOM 15 N LIG 1 -2.201 -2.125 0.372 0.00 0.00 -0.307 N ATOM 16 H LIG 1 -1.603 -2.318 -0.419 0.00 0.00 +0.149 HD ATOM 17 O LIG 1 -2.875 -0.505 1.853 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 -3.398 -2.922 0.504 0.00 0.00 +0.140 C BRANCH 18 19 ATOM 19 C LIG 1 -4.360 -2.632 -0.620 0.00 0.00 -0.028 A ATOM 20 C LIG 1 -4.388 -3.436 -1.768 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -5.267 -3.139 -2.812 0.00 0.00 +0.043 A ATOM 22 CL LIG 1 -5.289 -4.140 -4.212 0.00 0.00 -0.083 Cl ATOM 23 C LIG 1 -6.120 -2.042 -2.734 0.00 0.00 +0.040 A ATOM 24 C LIG 1 -6.088 -1.236 -1.600 0.00 0.00 +0.043 A ATOM 25 CL LIG 1 -7.132 0.128 -1.495 0.00 0.00 -0.083 Cl ATOM 26 C LIG 1 -5.216 -1.522 -0.549 0.00 0.00 +0.025 A ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 3 14 BRANCH 5 27 ATOM 27 C LIG 1 2.771 -0.610 -0.406 0.00 0.00 +0.139 C BRANCH 27 28 ATOM 28 N LIG 1 3.322 -1.365 0.695 0.00 0.00 -0.313 N ATOM 29 H LIG 1 3.192 -0.968 1.613 0.00 0.00 +0.149 HD BRANCH 28 30 ATOM 30 C LIG 1 4.340 -2.230 0.521 0.00 0.00 +0.176 C ATOM 31 N LIG 1 4.891 -2.710 1.665 0.00 0.00 -0.316 N ATOM 32 H LIG 1 4.991 -2.049 2.422 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 6.098 -3.418 1.294 0.00 0.00 +0.127 C ATOM 34 C LIG 1 5.887 -3.611 -0.211 0.00 0.00 +0.163 C ATOM 35 N LIG 1 4.822 -2.650 -0.611 0.00 0.00 -0.255 NA ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 7