REMARK Name = BDB061870 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.056 -0.738 -0.862 0.00 0.00 +0.042 A ATOM 2 C LIG 1 -0.608 -0.443 -1.072 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.176 -0.001 -2.331 0.00 0.00 +0.051 A ATOM 4 C LIG 1 1.169 0.271 -2.581 0.00 0.00 +0.028 A ATOM 5 C LIG 1 2.108 0.125 -1.559 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.718 -0.289 -0.282 0.00 0.00 +0.032 A ATOM 7 N LIG 1 -1.105 0.201 -3.355 0.00 0.00 -0.322 N ATOM 8 H LIG 1 -0.811 0.536 -4.262 0.00 0.00 +0.169 HD ATOM 9 C LIG 1 -2.445 0.017 -3.196 0.00 0.00 +0.251 A ATOM 10 O LIG 1 -3.247 0.238 -4.096 0.00 0.00 -0.268 OA ATOM 11 C LIG 1 0.356 -0.558 -0.053 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -2.898 -0.479 -1.878 0.00 0.00 +0.093 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -2.438 -1.258 0.378 0.00 0.00 -0.335 N ATOM 14 H LIG 1 -1.737 -1.908 0.732 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -3.794 -1.747 0.713 0.00 0.00 +0.197 C BRANCH 15 19 ATOM 16 C LIG 1 -4.899 1.781 1.604 0.00 0.00 +0.128 C ATOM 17 N LIG 1 -4.151 0.568 1.415 0.00 0.00 -0.317 N ATOM 18 H LIG 1 -3.165 0.618 1.169 0.00 0.00 +0.148 HD ATOM 19 C LIG 1 -4.768 -0.608 1.040 0.00 0.00 +0.230 C ATOM 20 O LIG 1 -5.986 -0.758 1.009 0.00 0.00 -0.274 OA ENDBRANCH 15 19 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 6 21 ATOM 21 N LIG 1 2.618 -0.391 0.798 0.00 0.00 -0.313 N ATOM 22 H LIG 1 2.333 -1.091 1.482 0.00 0.00 +0.152 HD BRANCH 21 23 ATOM 23 C LIG 1 3.872 0.216 1.037 0.00 0.00 +0.053 A ATOM 24 C LIG 1 4.880 -0.448 1.761 0.00 0.00 +0.110 A ATOM 25 C LIG 1 6.103 0.192 1.920 0.00 0.00 +0.148 A ATOM 26 CL LIG 1 7.425 -0.501 2.781 0.00 0.00 -0.061 Cl ATOM 27 N LIG 1 6.394 1.416 1.424 0.00 0.00 -0.242 NA ATOM 28 C LIG 1 5.419 2.036 0.736 0.00 0.00 +0.114 A ATOM 29 C LIG 1 4.168 1.484 0.517 0.00 0.00 +0.044 A BRANCH 24 30 ATOM 30 C LIG 1 4.655 -1.744 2.316 0.00 0.00 +0.104 C ATOM 31 N LIG 1 4.404 -2.787 2.757 0.00 0.00 -0.191 NA ENDBRANCH 24 30 ENDBRANCH 21 23 ENDBRANCH 6 21 TORSDOF 6