REMARK Name = BDB007203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.405 -1.038 1.036 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -4.909 -0.368 2.159 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -4.343 0.860 2.517 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -3.270 1.391 1.783 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -2.650 2.711 2.140 0.00 0.00 +0.132 C ATOM 6 C LIG 1 -1.154 2.787 1.856 0.00 0.00 +0.225 C ATOM 7 N LIG 1 -0.661 1.988 0.807 0.00 0.00 -0.260 N ATOM 8 C LIG 1 -1.620 1.337 -0.115 0.00 0.00 +0.142 C ATOM 9 O LIG 1 -0.482 3.590 2.509 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -2.763 0.709 0.673 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -3.323 -0.524 0.316 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -2.119 2.251 -1.249 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -1.835 3.628 -1.302 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.303 4.424 -2.354 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -3.057 3.853 -3.374 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -3.632 4.831 -4.667 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -3.343 2.492 -3.355 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -2.873 1.697 -2.304 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 0.754 1.887 0.532 0.00 0.00 +0.037 A ATOM 20 C LIG 1 1.240 1.548 -0.742 0.00 0.00 +0.025 A ATOM 21 C LIG 1 2.616 1.433 -0.999 0.00 0.00 +0.025 A ATOM 22 C LIG 1 3.557 1.645 0.009 0.00 0.00 +0.030 A ATOM 23 C LIG 1 3.081 1.986 1.278 0.00 0.00 +0.025 A ATOM 24 C LIG 1 1.708 2.098 1.537 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 4.947 1.572 -0.186 0.00 0.00 -0.333 N ATOM 26 C LIG 1 5.467 2.865 -0.651 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 5.451 0.407 -0.939 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 5.278 -0.914 -0.159 0.00 0.00 +0.020 C ATOM 29 C LIG 1 5.662 -2.091 -1.085 0.00 0.00 +0.089 C ATOM 30 N LIG 1 5.882 -3.306 -0.300 0.00 0.00 -0.305 NA ATOM 31 C LIG 1 5.969 -4.495 -1.142 0.00 0.00 +0.104 C ATOM 32 C LIG 1 7.061 -3.188 0.574 0.00 0.00 +0.084 C ATOM 33 C LIG 1 7.359 -1.751 1.023 0.00 0.00 +0.016 C ATOM 34 C LIG 1 6.084 -0.928 1.158 0.00 0.00 +0.007 C ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 35 ATOM 35 O LIG 1 -5.942 -0.979 2.818 0.00 0.00 -0.491 OA ATOM 36 C LIG 1 -6.388 -0.385 4.031 0.00 0.00 +0.277 C ENDBRANCH 2 35 BRANCH 1 37 ATOM 37 O LIG 1 -4.920 -2.258 0.668 0.00 0.00 -0.485 OA BRANCH 37 38 ATOM 38 C LIG 1 -5.793 -2.157 -0.472 0.00 0.00 +0.170 C ATOM 39 C LIG 1 -7.242 -2.112 0.013 0.00 0.00 +0.052 C BRANCH 38 41 ATOM 40 C LIG 1 -4.178 -3.453 -1.951 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -5.577 -3.398 -1.351 0.00 0.00 +0.041 C ENDBRANCH 38 41 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 9